- InChI
- InChI=1S/C9H10O3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3,(H,11,12)
- InChI Key
- OMNHTTWQSSUZHO-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- Cc1cc(C(=O)O)cc(C)c1O
- Molecular Weight1
- 166.17
- CAS
- 4919-37-3
- 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).
- 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 | 0.7907 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.707 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 4583.94 | kPa | Joback Calculated Property |
| Tboil | 544.77 | K | Relay (1.0) Calculated Property |
| Tc | 821.88 | K | Relay (1.0) Calculated Property |
| Tfus | 495.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.76; 368.09] | J/mol×K | [668.63; 883.29] | 
|
| Cp,gas | 321.76 | J/mol×K | 668.63 | Joback Calculated Property |
| Cp,gas | 330.56 | J/mol×K | 704.41 | Joback Calculated Property |
| Cp,gas | 338.84 | J/mol×K | 740.18 | Joback Calculated Property |
| Cp,gas | 346.68 | J/mol×K | 775.96 | Joback Calculated Property |
| Cp,gas | 354.13 | J/mol×K | 811.74 | Joback Calculated Property |
| Cp,gas | 361.25 | J/mol×K | 847.51 | Joback Calculated Property |
| Cp,gas | 368.09 | J/mol×K | 883.29 | Joback Calculated Property |
| η | [0.0000085; 0.0003242] | Pa×s | [465.12; 668.63] |
|
| η | 0.0003242 | Pa×s | 465.12 | Joback Calculated Property |
| η | 0.0001437 | Pa×s | 499.04 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 532.96 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 566.88 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 600.79 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 634.71 | Joback Calculated Property |
| η | 0.0000085 | Pa×s | 668.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-3,5-dimethyl-.
Sources
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