- InChI
- InChI=1S/C22H44O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-21(23)18-20(2)19-22(3,4)5/h20H,6-19H2,1-5H3
- InChI Key
- NRKCZQACTUADPZ-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)CC(C)CC(C)(
C)C - Molecular Weight1
- 340.58
- 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° | -99.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.04 | kJ/mol | Joback Calculated Property |
| log10WS | -7.41 | Crippen Calculated Property | |
| logPoct/wat | 7.303 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 942.68 | kPa | Joback Calculated Property |
| Inp | [2240.00; 2240.00] |
|
|
| Inp | 2240.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Tboil | 775.38 | K | Joback Calculated Property |
| Tc | 954.93 | K | Joback Calculated Property |
| Tfus | 397.28 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.45; 1141.64] | J/mol×K | [775.38; 954.93] |
|
| Cp,gas | 1032.45 | J/mol×K | 775.38 | Joback Calculated Property |
| Cp,gas | 1053.17 | J/mol×K | 805.30 | Joback Calculated Property |
| Cp,gas | 1072.83 | J/mol×K | 835.23 | Joback Calculated Property |
| Cp,gas | 1091.47 | J/mol×K | 865.15 | Joback Calculated Property |
| Cp,gas | 1109.12 | J/mol×K | 895.08 | Joback Calculated Property |
| Cp,gas | 1125.83 | J/mol×K | 925.00 | Joback Calculated Property |
| Cp,gas | 1141.64 | J/mol×K | 954.93 | Joback Calculated Property |
| η | [0.0000416; 0.0017105] | Pa×s | [397.28; 775.38] |
|
| η | 0.0017105 | Pa×s | 397.28 | Joback Calculated Property |
| η | 0.0006024 | Pa×s | 460.30 | Joback Calculated Property |
| η | 0.0002727 | Pa×s | 523.31 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 586.33 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 649.35 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 712.36 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 775.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tridecyl ester.
Sources
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