- InChI
- InChI=1S/C11H14O2/c1-11(2,10(12)13)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
- InChI Key
- BQHWATVEWGHHHF-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(C)(Cc1ccccc1)C(=O)O
- Molecular Weight1
- 178.23
- 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).
- I : Polar retention indices.
- 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 | 0.6453 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.340 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| I | [2262.00; 2262.00] |
|
|
| I | 2262.00 | NIST | |
| I | 2262.00 | NIST | |
| Tboil | 545.42 | K | Relay (1.0) Calculated Property |
| Tc | 768.89 | K | Relay (1.0) Calculated Property |
| Tfus | 356.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.97; 442.20] | J/mol×K | [620.58; 829.07] |
|
| Cp,gas | 378.97 | J/mol×K | 620.58 | Joback Calculated Property |
| Cp,gas | 391.51 | J/mol×K | 655.33 | Joback Calculated Property |
| Cp,gas | 403.17 | J/mol×K | 690.08 | Joback Calculated Property |
| Cp,gas | 414.02 | J/mol×K | 724.82 | Joback Calculated Property |
| Cp,gas | 424.10 | J/mol×K | 759.57 | Joback Calculated Property |
| Cp,gas | 433.48 | J/mol×K | 794.32 | Joback Calculated Property |
| Cp,gas | 442.20 | J/mol×K | 829.07 | Joback Calculated Property |
| η | [0.0000694; 0.0054910] | Pa×s | [353.32; 620.58] |
|
| η | 0.0054910 | Pa×s | 353.32 | Joback Calculated Property |
| η | 0.0017627 | Pa×s | 397.86 | Joback Calculated Property |
| η | 0.0007113 | Pa×s | 442.41 | Joback Calculated Property |
| η | 0.0003389 | Pa×s | 486.95 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 531.49 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 576.04 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 620.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»,«beta»-dimethylbenzenepropionic acid.
Sources
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