- InChI
- InChI=1S/C20H40O2/c1-6-7-8-9-10-11-12-13-14-15-22-19(21)16-18(2)17-20(3,4)5/h18H,6-17H2,1-5H3
- InChI Key
- NAKCAHXAFQJWPH-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
-
CCCCCCCCCCCOC(=O)CC(C)CC(C)(C)
C - Molecular Weight1
- 312.53
- 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 | 0.8534 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.523 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1064.48 | kPa | Joback Calculated Property |
| Inp | [2037.00; 2037.00] |
|
|
| Inp | 2037.00 | NIST | |
| Inp | 2037.00 | NIST | |
| Tboil | 577.37 | K | Relay (1.0) Calculated Property |
| Tc | 759.42 | K | Relay (1.0) Calculated Property |
| Tfus | 261.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [910.48; 1016.62] | J/mol×K | [729.62; 906.03] |
|
| Cp,gas | 910.48 | J/mol×K | 729.62 | Joback Calculated Property |
| Cp,gas | 930.54 | J/mol×K | 759.02 | Joback Calculated Property |
| Cp,gas | 949.60 | J/mol×K | 788.42 | Joback Calculated Property |
| Cp,gas | 967.71 | J/mol×K | 817.83 | Joback Calculated Property |
| Cp,gas | 984.89 | J/mol×K | 847.23 | Joback Calculated Property |
| Cp,gas | 1001.18 | J/mol×K | 876.63 | Joback Calculated Property |
| Cp,gas | 1016.62 | J/mol×K | 906.03 | Joback Calculated Property |
| η | [0.0000560; 0.0022363] | Pa×s | [374.74; 729.62] |
|
| η | 0.0022363 | Pa×s | 374.74 | Joback Calculated Property |
| η | 0.0007958 | Pa×s | 433.89 | Joback Calculated Property |
| η | 0.0003629 | Pa×s | 493.03 | Joback Calculated Property |
| η | 0.0001958 | Pa×s | 552.18 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 611.33 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 670.47 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 729.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, undecyl ester.
Sources
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