- InChI
- InChI=1S/C11H14O2/c1-6-5-10(11(12)13)9(4)8(3)7(6)2/h5H,1-4H3,(H,12,13)
- InChI Key
- JEBOPSGVIIUIQD-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- Cc1cc(C(=O)O)c(C)c(C)c1C
- Molecular Weight1
- 178.23
- CAS
- 2529-39-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | -150.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.70 ± 2.30 | kJ/mol | NIST |
| ΔfH°solid | -514.60 ± 2.20 | kJ/mol | NIST |
| ΔfusH° | 22.42 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [115.90; 115.90] | kJ/mol |
|
| ΔsubH° | 115.90 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 115.90 | kJ/mol | NIST |
| ΔsubH° | 115.90 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 68.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.618 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Tboil | 643.73 | K | Joback Calculated Property |
| Tc | 844.89 | K | Joback Calculated Property |
| Tfus | 400.98 | K | Joback Calculated Property |
| Vc | 0.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.49; 430.93] | J/mol×K | [643.73; 844.89] |
|
| Cp,gas | 371.49 | J/mol×K | 643.73 | Joback Calculated Property |
| Cp,gas | 382.80 | J/mol×K | 677.26 | Joback Calculated Property |
| Cp,gas | 393.53 | J/mol×K | 710.78 | Joback Calculated Property |
| Cp,gas | 403.70 | J/mol×K | 744.31 | Joback Calculated Property |
| Cp,gas | 413.31 | J/mol×K | 777.84 | Joback Calculated Property |
| Cp,gas | 422.39 | J/mol×K | 811.36 | Joback Calculated Property |
| Cp,gas | 430.93 | J/mol×K | 844.89 | Joback Calculated Property |
| Cp,solid | 249.50 | J/mol×K | 298.15 | NIST |
| η | [0.0000701; 0.0013439] | Pa×s | [400.98; 643.73] |
|
| η | 0.0013439 | Pa×s | 400.98 | Joback Calculated Property |
| η | 0.0006556 | Pa×s | 441.44 | Joback Calculated Property |
| η | 0.0003608 | Pa×s | 481.90 | Joback Calculated Property |
| η | 0.0002178 | Pa×s | 522.36 | Joback Calculated Property |
| η | 0.0001414 | Pa×s | 562.81 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 603.27 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 643.73 | Joback Calculated Property |
| ΔsubH | 113.40 ± 0.60 | kJ/mol | 348.50 | NIST |
Similar Compounds
Find more compounds similar to 2,3,4,5-Tetramethylbenzoic acid.
Sources
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