- InChI
- InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-21(22)19-20-16-13-12-14-17-20/h12-14,16-17H,2-10,18-19H2,1H3
- InChI Key
- JMGAKRHSWMRTAM-UHFFFAOYSA-N
- Formula
- C21H30O2
- SMILES
- CCCCCCCCCCC#CCOC(=O)Cc1ccccc1
- Molecular Weight1
- 314.46
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 207.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.92 | kJ/mol | Joback Calculated Property |
| log10WS | -6.37 | Crippen Calculated Property | |
| logPoct/wat | 5.306 | Crippen Calculated Property | |
| McVol | 281.830 | ml/mol | McGowan Calculated Property |
| Pc | 1374.80 | kPa | Joback Calculated Property |
| Inp | [2376.10; 2376.10] |
|
|
| Inp | 2376.10 | NIST | |
| Inp | 2376.10 | NIST | |
| Tboil | 791.85 | K | Joback Calculated Property |
| Tc | 995.57 | K | Joback Calculated Property |
| Tfus | 531.11 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [836.95; 929.00] | J/mol×K | [791.85; 995.57] |
|
| Cp,gas | 836.95 | J/mol×K | 791.85 | Joback Calculated Property |
| Cp,gas | 854.94 | J/mol×K | 825.80 | Joback Calculated Property |
| Cp,gas | 871.82 | J/mol×K | 859.76 | Joback Calculated Property |
| Cp,gas | 887.62 | J/mol×K | 893.71 | Joback Calculated Property |
| Cp,gas | 902.39 | J/mol×K | 927.66 | Joback Calculated Property |
| Cp,gas | 916.17 | J/mol×K | 961.62 | Joback Calculated Property |
| Cp,gas | 929.00 | J/mol×K | 995.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, tridec-2-ynyl ester.
Sources
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