- InChI
- InChI=1S/C19H38O2/c1-7-8-9-10-11-12-13-17(3)21-18(20)14-16(2)15-19(4,5)6/h16-17H,7-15H2,1-6H3
- InChI Key
- PBWYOKHVLIHEJN-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
-
CCCCCCCCC(C)OC(=O)CC(C)CC(C)(C
)C - Molecular Weight1
- 298.50
- 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° | -126.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.97 | kJ/mol | Joback Calculated Property |
| log10WS | -6.27 | Crippen Calculated Property | |
| logPoct/wat | 6.131 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1140.57 | kPa | Joback Calculated Property |
| Inp | [1839.00; 1839.00] |
|
|
| Inp | 1839.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Tboil | 706.30 | K | Joback Calculated Property |
| Tc | 884.00 | K | Joback Calculated Property |
| Tfus | 348.47 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [851.31; 957.06] | J/mol×K | [706.30; 884.00] |
|
| Cp,gas | 851.31 | J/mol×K | 706.30 | Joback Calculated Property |
| Cp,gas | 871.32 | J/mol×K | 735.92 | Joback Calculated Property |
| Cp,gas | 890.32 | J/mol×K | 765.53 | Joback Calculated Property |
| Cp,gas | 908.36 | J/mol×K | 795.15 | Joback Calculated Property |
| Cp,gas | 925.47 | J/mol×K | 824.77 | Joback Calculated Property |
| Cp,gas | 941.70 | J/mol×K | 854.38 | Joback Calculated Property |
| Cp,gas | 957.06 | J/mol×K | 884.00 | Joback Calculated Property |
| η | [0.0000600; 0.0034336] | Pa×s | [348.47; 706.30] |
|
| η | 0.0034336 | Pa×s | 348.47 | Joback Calculated Property |
| η | 0.0010684 | Pa×s | 408.11 | Joback Calculated Property |
| η | 0.0004477 | Pa×s | 467.75 | Joback Calculated Property |
| η | 0.0002284 | Pa×s | 527.38 | Joback Calculated Property |
| η | 0.0001336 | Pa×s | 587.02 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 646.66 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 706.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, dec-2-yl ester.
Sources
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