- InChI
- InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
- InChI Key
- IPBVNPXQWQGGJP-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- CC(=O)Oc1ccccc1
- Molecular Weight1
- 136.15
- CAS
- 122-79-2
- Other Names
-
- Fenylester kyseliny octove
- Phenol acetate
- Phenyl acetate
- Phenyl ester of acetic acid
- phenyl ethanoate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3966.00 ± 0.84 | kJ/mol | NIST |
| ΔfG° | -105.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-280.00; -279.70] | kJ/mol |
|
| ΔfH°gas | -279.70 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | -280.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | [-334.80; -326.00] | kJ/mol |
|
| ΔfH°liquid | -326.00 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | -334.80 ± 0.92 | kJ/mol | NIST |
| ΔfusH° | 13.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [46.30; 55.20] | kJ/mol |
|
| ΔvapH° | 53.30 | kJ/mol | NIST |
| ΔvapH° | 53.60 | kJ/mol | NIST |
| ΔvapH° | 53.10 | kJ/mol | NIST |
| ΔvapH° | 55.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | Outlier 46.30 | kJ/mol | NIST |
| ΔvapH° | 54.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 54.80 | kJ/mol | NIST |
| IE | [8.60; 8.80] | eV |
|
| IE | 8.60 ± 0.05 | eV | NIST |
| IE | 8.80 ± 0.20 | eV | NIST |
| IE | 8.75 ± 0.03 | eV | NIST |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 1.612 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 3862.67 | kPa | Joback Calculated Property |
| Inp | [1008.00; 1068.00] |
|
|
| Inp | 1008.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1033.00 | NIST | |
| I | [1633.00; 1660.00] |
|
|
| I | 1633.00 | NIST | |
| I | 1660.00 | NIST | |
| Tboil | [468.00; 469.90] | K |
|
| Tboil | 469.20 | K | NIST |
| Tboil | 468.00 | K | NIST |
| Tboil | 468.85 | K | NIST |
| Tboil | 468.85 ± 0.40 | K | NIST |
| Tboil | 468.90 ± 0.50 | K | NIST |
| Tboil | 468.90 ± 0.50 | K | NIST |
| Tboil | 468.70 ± 0.50 | K | NIST |
| Tboil | 469.00 ± 4.00 | K | NIST |
| Tboil | Outlier 469.90 ± 1.00 | K | NIST |
| Tc | 705.10 | K | Joback Calculated Property |
| Tfus | 267.05 | K | NIST |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.26; 273.64] | J/mol×K | [485.41; 705.10] |
|
| Cp,gas | 214.26 | J/mol×K | 485.41 | Joback Calculated Property |
| Cp,gas | 225.73 | J/mol×K | 522.02 | Joback Calculated Property |
| Cp,gas | 236.56 | J/mol×K | 558.64 | Joback Calculated Property |
| Cp,gas | 246.75 | J/mol×K | 595.25 | Joback Calculated Property |
| Cp,gas | 256.31 | J/mol×K | 631.87 | Joback Calculated Property |
| Cp,gas | 265.28 | J/mol×K | 668.48 | Joback Calculated Property |
| Cp,gas | 273.64 | J/mol×K | 705.10 | Joback Calculated Property |
| η | [0.0002430; 0.0022895] | Pa×s | [278.50; 485.41] |
|
| η | 0.0022895 | Pa×s | 278.50 | Joback Calculated Property |
| η | 0.0012822 | Pa×s | 312.99 | Joback Calculated Property |
| η | 0.0008057 | Pa×s | 347.47 | Joback Calculated Property |
| η | 0.0005505 | Pa×s | 381.95 | Joback Calculated Property |
| η | 0.0004007 | Pa×s | 416.44 | Joback Calculated Property |
| η | 0.0003062 | Pa×s | 450.92 | Joback Calculated Property |
| η | 0.0002430 | Pa×s | 485.41 | Joback Calculated Property |
| ΔvapH | 51.70 | kJ/mol | 390.00 | NIST |
| Pvap | [3.50; 66.10] | kPa | [373.20; 453.20] |
|
| Pvap | 3.50 | kPa | 373.20 | Isother... |
| Pvap | 18.20 | kPa | 413.20 | Isother... |
| Pvap | 66.10 | kPa | 453.20 | Isother... |
| ρl | [1073.00; 1073.30] | kg/m3 | [298.15; 298.20] |
|
| ρl | 1073.30 | kg/m3 | 298.15 | Revisio... |
| ρl | 1073.00 | kg/m3 | 298.20 | Investi... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [350.99; 496.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63860e+01 | |||
| Coefficient B | -5.16870e+03 | |||
| Coefficient C | -2.99210e+01 | |||
| Temperature range, min. | 350.99 | |||
| Temperature range, max. | 496.64 | |||
| Pvap | 1.33 | kPa | 350.99 | Calculated Property |
| Pvap | 2.89 | kPa | 367.17 | Calculated Property |
| Pvap | 5.82 | kPa | 383.36 | Calculated Property |
| Pvap | 11.05 | kPa | 399.54 | Calculated Property |
| Pvap | 19.86 | kPa | 415.72 | Calculated Property |
| Pvap | 34.06 | kPa | 431.91 | Calculated Property |
| Pvap | 56.02 | kPa | 448.09 | Calculated Property |
| Pvap | 88.78 | kPa | 464.27 | Calculated Property |
| Pvap | 136.14 | kPa | 480.46 | Calculated Property |
| Pvap | 202.64 | kPa | 496.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, phenyl ester.
Mixtures
- 1,2-Ethanediol + Acetic acid, phenyl ester
- Acetic acid, phenyl ester + Ethyl Acetate
- Diethyl carbonate + Acetic acid, phenyl ester
- Acetic acid, phenyl ester + Diphenyl carbonate
- Acetic acid, phenyl ester + Butanoic acid + Water
- Acetic acid, phenyl ester + Water
Sources
- Crippen Method
- Crippen Method
- Revision of the volumetric method for measurements of liquid liquid equilibria in binary systems
- Isothermal (vapour + liquid) equilibrium (VLE) for binary mixtures containing diethyl carbonate, phenyl acetate, diphenyl carbonate, or ethyl acetate
- Investigation of Ternary Phase Diagrams of (Water + Butyric Acid + Phenyl Acetate) at Different Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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