- InChI
- InChI=1S/C18H36O2/c1-6-7-8-9-10-11-12-13-20-17(19)14-16(2)15-18(3,4)5/h16H,6-15H2,1-5H3
- InChI Key
- ZZEAXDKLJQQOJD-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 284.48
- 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° | -132.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 5.743 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1211.51 | kPa | Joback Calculated Property |
| Inp | [1835.00; 1835.00] |
|
|
| Inp | 1835.00 | NIST | |
| Inp | 1835.00 | NIST | |
| Tboil | 683.86 | K | Joback Calculated Property |
| Tc | 859.39 | K | Joback Calculated Property |
| Tfus | 352.20 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [792.34; 895.52] | J/mol×K | [683.86; 859.39] |
|
| Cp,gas | 792.34 | J/mol×K | 683.86 | Joback Calculated Property |
| Cp,gas | 811.79 | J/mol×K | 713.11 | Joback Calculated Property |
| Cp,gas | 830.29 | J/mol×K | 742.37 | Joback Calculated Property |
| Cp,gas | 847.88 | J/mol×K | 771.62 | Joback Calculated Property |
| Cp,gas | 864.60 | J/mol×K | 800.88 | Joback Calculated Property |
| Cp,gas | 880.47 | J/mol×K | 830.13 | Joback Calculated Property |
| Cp,gas | 895.52 | J/mol×K | 859.39 | Joback Calculated Property |
| η | [0.0000748; 0.0028839] | Pa×s | [352.20; 683.86] |
|
| η | 0.0028839 | Pa×s | 352.20 | Joback Calculated Property |
| η | 0.0010384 | Pa×s | 407.48 | Joback Calculated Property |
| η | 0.0004772 | Pa×s | 462.75 | Joback Calculated Property |
| η | 0.0002589 | Pa×s | 518.03 | Joback Calculated Property |
| η | 0.0001581 | Pa×s | 573.31 | Joback Calculated Property |
| η | 0.0001052 | Pa×s | 628.58 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 683.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, nonyl ester.
Sources
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