- InChI
- InChI=1S/C21H42O2/c1-6-7-8-9-10-11-12-13-14-15-16-23-20(22)17-19(2)18-21(3,4)5/h19H,6-18H2,1-5H3
- InChI Key
- XVDCXGOGHRIMJF-UHFFFAOYSA-N
- Formula
- C21H42O2
- SMILES
-
CCCCCCCCCCCCOC(=O)CC(C)CC(C)(C
)C - Molecular Weight1
- 326.56
- 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° | -107.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.81 | kJ/mol | Joback Calculated Property |
| log10WS | -6.99 | Crippen Calculated Property | |
| logPoct/wat | 6.913 | Crippen Calculated Property | |
| McVol | 314.190 | ml/mol | McGowan Calculated Property |
| Pc | 1000.81 | kPa | Joback Calculated Property |
| Inp | [2139.00; 2139.00] |
|
|
| Inp | 2139.00 | NIST | |
| Inp | 2139.00 | NIST | |
| Tboil | 752.50 | K | Joback Calculated Property |
| Tc | 930.17 | K | Joback Calculated Property |
| Tfus | 386.01 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.02; 1078.66] | J/mol×K | [752.50; 930.17] |
|
| Cp,gas | 971.02 | J/mol×K | 752.50 | Joback Calculated Property |
| Cp,gas | 991.40 | J/mol×K | 782.11 | Joback Calculated Property |
| Cp,gas | 1010.75 | J/mol×K | 811.72 | Joback Calculated Property |
| Cp,gas | 1029.12 | J/mol×K | 841.34 | Joback Calculated Property |
| Cp,gas | 1046.53 | J/mol×K | 870.95 | Joback Calculated Property |
| Cp,gas | 1063.03 | J/mol×K | 900.56 | Joback Calculated Property |
| Cp,gas | 1078.66 | J/mol×K | 930.17 | Joback Calculated Property |
| η | [0.0000483; 0.0019589] | Pa×s | [386.01; 752.50] |
|
| η | 0.0019589 | Pa×s | 386.01 | Joback Calculated Property |
| η | 0.0006934 | Pa×s | 447.09 | Joback Calculated Property |
| η | 0.0003150 | Pa×s | 508.17 | Joback Calculated Property |
| η | 0.0001695 | Pa×s | 569.25 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 630.34 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 691.42 | Joback Calculated Property |
| η | 0.0000483 | Pa×s | 752.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, dodecyl ester.
Sources
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