- InChI
- InChI=1S/C13H26O2/c1-6-7-8-15-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3
- InChI Key
- DCWPYGIRDUULGM-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 214.34
- 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° | -174.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1746.28 | kPa | Joback Calculated Property |
| Inp | [1340.00; 1340.00] |
|
|
| Inp | 1340.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Tboil | 569.46 | K | Joback Calculated Property |
| Tc | 749.88 | K | Joback Calculated Property |
| Tfus | 295.85 | K | Joback Calculated Property |
| Vc | 0.770 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.93; 611.11] | J/mol×K | [569.46; 749.88] |
|
| Cp,gas | 517.93 | J/mol×K | 569.46 | Joback Calculated Property |
| Cp,gas | 535.45 | J/mol×K | 599.53 | Joback Calculated Property |
| Cp,gas | 552.13 | J/mol×K | 629.60 | Joback Calculated Property |
| Cp,gas | 568.02 | J/mol×K | 659.67 | Joback Calculated Property |
| Cp,gas | 583.13 | J/mol×K | 689.74 | Joback Calculated Property |
| Cp,gas | 597.48 | J/mol×K | 719.81 | Joback Calculated Property |
| Cp,gas | 611.11 | J/mol×K | 749.88 | Joback Calculated Property |
| η | [0.0001454; 0.0050223] | Pa×s | [295.85; 569.46] |
|
| η | 0.0050223 | Pa×s | 295.85 | Joback Calculated Property |
| η | 0.0018762 | Pa×s | 341.45 | Joback Calculated Property |
| η | 0.0008840 | Pa×s | 387.05 | Joback Calculated Property |
| η | 0.0004881 | Pa×s | 432.66 | Joback Calculated Property |
| η | 0.0003018 | Pa×s | 478.26 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 523.86 | Joback Calculated Property |
| η | 0.0001454 | Pa×s | 569.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, butyl ester.
Sources
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