- InChI
- InChI=1S/C21H34O3/c1-4-6-7-8-9-10-11-12-15-18(5-2)24-21(22)19-16-13-14-17-20(19)23-3/h13-14,16-18H,4-12,15H2,1-3H3
- InChI Key
- VKSYBQGYWZOCAB-UHFFFAOYSA-N
- Formula
- C21H34O3
- SMILES
-
CCCCCCCCCCC(CC)OC(=O)c1ccccc1O
C - Molecular Weight1
- 334.49
- 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).
- 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° | -112.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.46 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 6.161 | Crippen Calculated Property | |
| McVol | 296.300 | ml/mol | McGowan Calculated Property |
| Pc | 1204.80 | kPa | Joback Calculated Property |
| Inp | 2332.00 | NIST | |
| Tboil | 809.81 | K | Joback Calculated Property |
| Tc | 1004.18 | K | Joback Calculated Property |
| Tfus | 444.76 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.73; 1009.32] | J/mol×K | [809.81; 1004.18] | 
|
| Cp,gas | 916.73 | J/mol×K | 809.81 | Joback Calculated Property |
| Cp,gas | 934.92 | J/mol×K | 842.20 | Joback Calculated Property |
| Cp,gas | 951.98 | J/mol×K | 874.60 | Joback Calculated Property |
| Cp,gas | 967.92 | J/mol×K | 906.99 | Joback Calculated Property |
| Cp,gas | 982.77 | J/mol×K | 939.39 | Joback Calculated Property |
| Cp,gas | 996.56 | J/mol×K | 971.78 | Joback Calculated Property |
| Cp,gas | 1009.32 | J/mol×K | 1004.18 | Joback Calculated Property |
| η | [0.0000454; 0.0007740] | Pa×s | [444.76; 809.81] |
|
| η | 0.0007740 | Pa×s | 444.76 | Joback Calculated Property |
| η | 0.0003630 | Pa×s | 505.60 | Joback Calculated Property |
| η | 0.0002003 | Pa×s | 566.44 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 627.28 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 688.13 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 748.97 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 809.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 3-tridecyl ester.
Sources
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