- InChI
- InChI=1S/C16H30O2/c1-13(11-16(2,3)4)10-15(17)18-12-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3
- InChI Key
- ZYKBYSOILBDXIW-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CC(CC(=O)OCC1CCCCC1)CC(C)(C)C
- Molecular Weight1
- 254.41
- 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° | -125.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 4.572 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1631.17 | kPa | Joback Calculated Property |
| Inp | [1705.00; 1705.00] |
|
|
| Inp | 1705.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Tboil | 657.65 | K | Joback Calculated Property |
| Tc | 860.54 | K | Joback Calculated Property |
| Tfus | 337.04 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.63; 785.40] | J/mol×K | [657.65; 860.54] |
|
| Cp,gas | 673.63 | J/mol×K | 657.65 | Joback Calculated Property |
| Cp,gas | 695.34 | J/mol×K | 691.47 | Joback Calculated Property |
| Cp,gas | 715.75 | J/mol×K | 725.28 | Joback Calculated Property |
| Cp,gas | 734.92 | J/mol×K | 759.10 | Joback Calculated Property |
| Cp,gas | 752.89 | J/mol×K | 792.91 | Joback Calculated Property |
| Cp,gas | 769.70 | J/mol×K | 826.73 | Joback Calculated Property |
| Cp,gas | 785.40 | J/mol×K | 860.54 | Joback Calculated Property |
| η | [0.0001029; 0.0043452] | Pa×s | [337.04; 657.65] |
|
| η | 0.0043452 | Pa×s | 337.04 | Joback Calculated Property |
| η | 0.0015194 | Pa×s | 390.48 | Joback Calculated Property |
| η | 0.0006842 | Pa×s | 443.91 | Joback Calculated Property |
| η | 0.0003657 | Pa×s | 497.35 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 550.78 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 604.21 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 657.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, cyclohexylmethyl ester.
Sources
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