- InChI
- InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22(23)20-17-14-15-18-21(20)24-2/h14-15,17-18H,3-13,16,19H2,1-2H3
- InChI Key
- CMRJODNVCVELRW-UHFFFAOYSA-N
- Formula
- C22H36O3
- SMILES
- CCCCCCCCCCCCCCOC(=O)c1ccccc1OC
- Molecular Weight1
- 348.52
- CAS
- 111722-03-3
- 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).
- Inp : Non-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 | 1.0554 | Relay (1.0) Calculated Property | |
| ΔfG° | -101.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.553 | Crippen Calculated Property | |
| McVol | 310.390 | ml/mol | McGowan Calculated Property |
| Pc | 1122.31 | kPa | Joback Calculated Property |
| Inp | 2578.60 | NIST | |
| Tboil | 645.05 | K | Relay (1.0) Calculated Property |
| Tc | 845.03 | K | Relay (1.0) Calculated Property |
| Tfus | 301.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.181 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.56; 1069.44] | J/mol×K | [833.13; 1027.17] | 
|
| Cp,gas | 976.56 | J/mol×K | 833.13 | Joback Calculated Property |
| Cp,gas | 994.84 | J/mol×K | 865.47 | Joback Calculated Property |
| Cp,gas | 1011.96 | J/mol×K | 897.81 | Joback Calculated Property |
| Cp,gas | 1027.96 | J/mol×K | 930.15 | Joback Calculated Property |
| Cp,gas | 1042.85 | J/mol×K | 962.49 | Joback Calculated Property |
| Cp,gas | 1056.67 | J/mol×K | 994.83 | Joback Calculated Property |
| Cp,gas | 1069.44 | J/mol×K | 1027.17 | Joback Calculated Property |
| η | [0.0000431; 0.0005996] | Pa×s | [471.03; 833.13] |
|
| η | 0.0005996 | Pa×s | 471.03 | Joback Calculated Property |
| η | 0.0003013 | Pa×s | 531.38 | Joback Calculated Property |
| η | 0.0001742 | Pa×s | 591.73 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 652.08 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 712.43 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 772.78 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 833.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Methoxybenzoic acid, tetradecyl ester.
Sources
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