Antoine Vapor Pressure
Saturation vapor pressure of a pure liquid from temperature using the Antoine equation. Built-in coefficients for common solvents and process chemicals. Forward (T → P_sat) or inverse (P_sat → T, normal boiling point).
Defaults: water at 100°C → 760 mmHg (1 atm) — the normal boiling point. Antoine A, B, C for water (mmHg basis): 8.07131, 1730.63, 233.426 (valid 1–100°C, NIST).
What Antoine is for
Antoine gives the equilibrium vapor pressure of a pure liquid at a given temperature. Direct uses:
- Boiling point at altitude: T_bp = boiling at given P_atm. Mt. Everest at 250 mmHg → water boils at 71°C.
- Distillation column design: relative volatility α₁₂ = P_sat,1 / P_sat,2 across the column.
- Tank breathing losses: gasoline tank at 30°C → P_sat,gasoline determines vapor space concentration.
- Solvent selection: pick a solvent whose P_sat at process conditions is appropriate (low for evaporative loss prevention, high for fast removal).
- Pump NPSH: NPSH_a depends on vapor pressure of the pumped fluid at fluid temperature.
Antoine coefficient sources
- NIST WebBook: webbook.nist.gov — most accurate, multiple formulations
- Yaws' Handbook of Vapor Pressure: Yaws (2007), Gulf Publishing, ch. 1
- Perry's Chemical Engineers' Handbook: Perry & Green, 9th ed., ch. 2
- DIPPR Database: industry standard for chemical properties
Always check the temperature range for which the coefficients are valid. Antoine is a 3-parameter polynomial fit and extrapolates poorly outside the calibrated range. Some compounds use multiple coefficient sets for different temperature ranges.
Limits of Antoine
Antoine works well from triple point to ~70% of critical temperature. For:
- Near critical: use Wagner equation (4-parameter, asymptotic to T_c)
- Multi-component liquid: Antoine is for pure compounds. Use Raoult's law: P_sat,solution = Σ x_i × P_sat,i for ideal mixtures, or activity-coefficient models (NRTL, UNIQUAC) for non-ideal.
- Dissolved gas in water: use Henry's law instead of Antoine.
- Solid → vapor (sublimation): separate Antoine fit, applies below triple point.
Inverse — finding boiling point at a given pressure
Solve for T given P_sat: T = B / (A − log10(P_sat)) − C. The equation is closed-form invertible because of the simple log-linear structure. For Wagner equation, inverse requires Newton-Raphson iteration.
Coefficient examples (mmHg basis)
| Compound | A | B | C | T range (°C) |
| Water | 8.07131 | 1730.63 | 233.426 | 1–100 |
| Methanol | 7.89750 | 1474.08 | 229.13 | −14–110 |
| Ethanol | 8.20417 | 1642.89 | 230.300 | −2–100 |
| Acetone | 7.02447 | 1161.0 | 224.0 | −13–55 |
| Benzene | 6.90565 | 1211.033 | 220.79 | 8–80 |
| Toluene | 6.95464 | 1344.8 | 219.482 | 6–137 |
| n-Hexane | 6.87601 | 1171.17 | 224.41 | −25–92 |
| Ammonia | 7.55466 | 1002.711 | 247.885 | −83–60 |
Reference: Antoine, C. (1888). "Tensions des vapeurs." C. R. Acad. Sci., Paris, 107: 681. NIST Chemistry WebBook (current). Reid, R.C., Prausnitz, J.M., Poling, B.E. (1987). The Properties of Gases and Liquids, 4th ed., McGraw-Hill.