- InChI
- InChI=1S/C22H36O3/c1-4-6-7-8-9-10-11-12-13-16-19(5-2)25-22(23)20-17-14-15-18-21(20)24-3/h14-15,17-19H,4-13,16H2,1-3H3
- InChI Key
- XENIJNQQROZZDG-UHFFFAOYSA-N
- Formula
- C22H36O3
- SMILES
-
CCCCCCCCCCCC(CC)OC(=O)c1ccccc1
OC - Molecular Weight1
- 348.52
- 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 | 1.0032 | Relay (1.0) Calculated Property | |
| ΔfG° | -104.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.552 | Crippen Calculated Property | |
| McVol | 310.390 | ml/mol | McGowan Calculated Property |
| Pc | 1128.35 | kPa | Joback Calculated Property |
| Inp | [2433.00; 2433.00] |
|
|
| Inp | 2433.00 | NIST | |
| Inp | 2433.00 | NIST | |
| Tboil | 639.70 | K | Relay (1.0) Calculated Property |
| Tc | 841.80 | K | Relay (1.0) Calculated Property |
| Tfus | 285.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.05; 1070.27] | J/mol×K | [832.69; 1028.10] |
|
| Cp,gas | 977.05 | J/mol×K | 832.69 | Joback Calculated Property |
| Cp,gas | 995.45 | J/mol×K | 865.26 | Joback Calculated Property |
| Cp,gas | 1012.66 | J/mol×K | 897.83 | Joback Calculated Property |
| Cp,gas | 1028.73 | J/mol×K | 930.39 | Joback Calculated Property |
| Cp,gas | 1043.67 | J/mol×K | 962.96 | Joback Calculated Property |
| Cp,gas | 1057.51 | J/mol×K | 995.53 | Joback Calculated Property |
| Cp,gas | 1070.27 | J/mol×K | 1028.10 | Joback Calculated Property |
| η | [0.0000395; 0.0006955] | Pa×s | [456.03; 832.69] |
|
| η | 0.0006955 | Pa×s | 456.03 | Joback Calculated Property |
| η | 0.0003228 | Pa×s | 518.81 | Joback Calculated Property |
| η | 0.0001769 | Pa×s | 581.58 | Joback Calculated Property |
| η | 0.0001089 | Pa×s | 644.36 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 707.14 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 769.91 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 832.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 3-tetradecyl ester.
Sources
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