- InChI
- InChI=1S/C23H46O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-22(24)19-21(2)20-23(3,4)5/h21H,6-20H2,1-5H3
- InChI Key
- KUGGOUVGKCLGGH-UHFFFAOYSA-N
- Formula
- C23H46O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CC(C)CC(C)
(C)C - Molecular Weight1
- 354.61
- 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 | 0.9596 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.693 | Crippen Calculated Property | |
| McVol | 342.370 | ml/mol | McGowan Calculated Property |
| Pc | 889.47 | kPa | Joback Calculated Property |
| Inp | [2340.00; 2340.00] |
|
|
| Inp | 2340.00 | NIST | |
| Inp | 2340.00 | NIST | |
| Tboil | 601.66 | K | Relay (1.0) Calculated Property |
| Tc | 787.45 | K | Relay (1.0) Calculated Property |
| Tfus | 277.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.298 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1094.71; 1205.56] | J/mol×K | [798.26; 980.37] |
|
| Cp,gas | 1094.71 | J/mol×K | 798.26 | Joback Calculated Property |
| Cp,gas | 1115.80 | J/mol×K | 828.61 | Joback Calculated Property |
| Cp,gas | 1135.79 | J/mol×K | 858.96 | Joback Calculated Property |
| Cp,gas | 1154.71 | J/mol×K | 889.31 | Joback Calculated Property |
| Cp,gas | 1172.62 | J/mol×K | 919.66 | Joback Calculated Property |
| Cp,gas | 1189.55 | J/mol×K | 950.02 | Joback Calculated Property |
| Cp,gas | 1205.56 | J/mol×K | 980.37 | Joback Calculated Property |
| η | [0.0000357; 0.0014893] | Pa×s | [408.55; 798.26] |
|
| η | 0.0014893 | Pa×s | 408.55 | Joback Calculated Property |
| η | 0.0005220 | Pa×s | 473.50 | Joback Calculated Property |
| η | 0.0002356 | Pa×s | 538.45 | Joback Calculated Property |
| η | 0.0001262 | Pa×s | 603.40 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 668.36 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 733.31 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 798.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tetradecyl ester.
Sources
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