- InChI
- InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
- InChI Key
- GDBUZIKSJGRBJP-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- CC(=O)Oc1ccc(C(=O)O)cc1
- Molecular Weight1
- 180.16
- CAS
- 2345-34-8
- Other Names
-
- 4-(acetyloxy)benzoic acid
- 4-Acetate-benzoic acid
- 4-Carboxyphenyl acetate
- 4-acetoxybenzoic acid
- Benzoic acid, p-hydroxy-, acetate
- NSC 11340
- O-Acetyl-p-hydroxybenzoic acid
- p-Acetoxybenzoic acid
- p-Acetyloxybenzoic acid
- p-Carboxyphenyl acetate
- p-Hydroxybenzoic acid acetate
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ω | 0.7653 | Relay (1.0) Calculated Property | |
| ΔfG° | -526.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 ± 0.20 | eV | NIST |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 128.790 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 564.77 | K | Relay (1.0) Calculated Property |
| Tc | 787.36 | K | Relay (1.0) Calculated Property |
| Tfus | 448.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [26.35; 26.35] | kJ/mol | [467.20; 467.20] | 
|
| ΔfusH | 26.35 | kJ/mol | 467.20 | NIST |
| ΔfusH | 26.35 | kJ/mol | 467.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.66; 380.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.11000e+00 | |||
| Coefficient B | 7.16420e-01 | |||
| Coefficient C | -4.07960e-04 | |||
| Coefficient D | 6.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 210.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 301.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 324.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 343.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 358.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 380.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009614; 0.0002094] | Pa×s | [433.06; 607.48] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.22552e+01 | |||
| Coefficient B | 2.29870e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 433.06 | |||
| Temperature range, max. | 607.48 | |||
| η | 0.0009614 | Pa×s | 433.06 | Calculated Property |
| η | 0.0007659 | Pa×s | 452.44 | Calculated Property |
| η | 0.0006216 | Pa×s | 471.82 | Calculated Property |
| η | 0.0005129 | Pa×s | 491.20 | Calculated Property |
| η | 0.0004294 | Pa×s | 510.58 | Calculated Property |
| η | 0.0003642 | Pa×s | 529.96 | Calculated Property |
| η | 0.0003126 | Pa×s | 549.34 | Calculated Property |
| η | 0.0002710 | Pa×s | 568.72 | Calculated Property |
| η | 0.0002372 | Pa×s | 588.10 | Calculated Property |
| η | 0.0002094 | Pa×s | 607.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(acetyloxy)-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubility of 3,5-Dimethoxybenzoic Acid, 4-Cyanobenzoic Acid, 4-Acetoxybenzoic Acid, 3,5-Diaminobenzoic Acid, and 2,4-Dichlorobenzoic Acid in Ethanol
- Joback Method
- McGowan Method
- NIST Webbook
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