- 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 |
|---|---|---|---|---|
| Cp,gas | [314.44; 363.65] | J/mol×K | [640.91; 867.83] | 
|
| Cp,gas | 314.44 | J/mol×K | 640.91 | Joback Calculated Property |
| Cp,gas | 324.50 | J/mol×K | 678.73 | Joback Calculated Property |
| Cp,gas | 333.79 | J/mol×K | 716.55 | Joback Calculated Property |
| Cp,gas | 342.33 | J/mol×K | 754.37 | Joback Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 792.19 | Joback Calculated Property |
| Cp,gas | 357.24 | J/mol×K | 830.01 | Joback Calculated Property |
| Cp,gas | 363.65 | J/mol×K | 867.83 | Joback Calculated Property |
| η | [0.0001719; 0.0009614] | Pa×s | [433.06; 640.91] |
|
| η | 0.0009614 | Pa×s | 433.06 | Joback Calculated Property |
| η | 0.0006489 | Pa×s | 467.70 | Joback Calculated Property |
| η | 0.0004623 | Pa×s | 502.34 | Joback Calculated Property |
| η | 0.0003442 | Pa×s | 536.99 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 571.63 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 606.27 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 640.91 | Joback Calculated Property |
| 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 |
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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