- InChI
- InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-16-19-24-22(23)20(2)21-17-14-13-15-18-21/h13-15,17-18,20H,3-12,16,19H2,1-2H3
- InChI Key
- CVZOYLYTHSFWPB-UHFFFAOYSA-N
- Formula
- C22H36O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)c1ccccc
1 - Molecular Weight1
- 332.52
- 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 | 0.9170 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.644 | Crippen Calculated Property | |
| McVol | 304.520 | ml/mol | McGowan Calculated Property |
| Pc | 1153.00 | kPa | Joback Calculated Property |
| Inp | [2901.00; 2901.00] |
|
|
| Inp | 2901.00 | NIST | |
| Inp | 2901.00 | NIST | |
| Tboil | 616.70 | K | Relay (1.0) Calculated Property |
| Tc | 833.03 | K | Relay (1.0) Calculated Property |
| Tfus | 294.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.142 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [945.79; 1043.19] | J/mol×K | [805.29; 998.37] |
|
| Cp,gas | 945.79 | J/mol×K | 805.29 | Joback Calculated Property |
| Cp,gas | 964.71 | J/mol×K | 837.47 | Joback Calculated Property |
| Cp,gas | 982.49 | J/mol×K | 869.65 | Joback Calculated Property |
| Cp,gas | 999.20 | J/mol×K | 901.83 | Joback Calculated Property |
| Cp,gas | 1014.85 | J/mol×K | 934.01 | Joback Calculated Property |
| Cp,gas | 1029.50 | J/mol×K | 966.19 | Joback Calculated Property |
| Cp,gas | 1043.19 | J/mol×K | 998.37 | Joback Calculated Property |
| η | [0.0000520; 0.0012673] | Pa×s | [421.28; 805.29] |
|
| η | 0.0012673 | Pa×s | 421.28 | Joback Calculated Property |
| η | 0.0005239 | Pa×s | 485.28 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 549.28 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 613.28 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 677.29 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 741.29 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 805.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydratropic acid, tridecyl ester.
Sources
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