- InChI
- InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)
- InChI Key
- NGMYCWFGNSXLMP-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- CC(=O)Oc1cccc(C(=O)O)c1
- Molecular Weight1
- 180.16
- CAS
- 6304-89-8
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -371.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.15 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 128.790 | ml/mol | McGowan Calculated Property |
| Pc | 4082.92 | kPa | Joback Calculated Property |
| Tboil | 659.32 | K | Joback Calculated Property |
| Tc | 868.49 | K | Joback Calculated Property |
| Tfus | 400.00 ± 3.00 | K | NIST |
| Vc | 0.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.39; 358.88] | J/mol×K | [659.32; 868.49] | 
|
| Cp,gas | 313.39 | J/mol×K | 659.32 | Joback Calculated Property |
| Cp,gas | 322.42 | J/mol×K | 694.18 | Joback Calculated Property |
| Cp,gas | 330.85 | J/mol×K | 729.04 | Joback Calculated Property |
| Cp,gas | 338.71 | J/mol×K | 763.90 | Joback Calculated Property |
| Cp,gas | 346.00 | J/mol×K | 798.77 | Joback Calculated Property |
| Cp,gas | 352.72 | J/mol×K | 833.63 | Joback Calculated Property |
| Cp,gas | 358.88 | J/mol×K | 868.49 | Joback Calculated Property |
| η | [0.0000688; 0.0015914] | Pa×s | [413.04; 659.32] |
|
| η | 0.0015914 | Pa×s | 413.04 | Joback Calculated Property |
| η | 0.0007440 | Pa×s | 454.09 | Joback Calculated Property |
| η | 0.0003946 | Pa×s | 495.13 | Joback Calculated Property |
| η | 0.0002306 | Pa×s | 536.18 | Joback Calculated Property |
| η | 0.0001455 | Pa×s | 577.23 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 618.27 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 659.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, m-acetoxy.
Sources
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