- InChI
- InChI=1S/C18H32O2/c1-8-9-10-16(11-14(2)3)20-17(19)12-15(4)13-18(5,6)7/h14-16H,8,11-13H2,1-7H3
- InChI Key
- VHJZYHXXUCMOAN-UHFFFAOYSA-N
- Formula
- C18H32O2
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CC(C)CC(C)
(C)C - Molecular Weight1
- 280.45
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 65.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 4.820 | Crippen Calculated Property | |
| McVol | 263.320 | ml/mol | McGowan Calculated Property |
| Pc | 1374.80 | kPa | Joback Calculated Property |
| Inp | [1680.00; 1680.00] |
|
|
| Inp | 1680.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Tboil | 691.98 | K | Joback Calculated Property |
| Tc | 887.88 | K | Joback Calculated Property |
| Tfus | 428.30 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.32; 853.30] | J/mol×K | [691.98; 887.88] |
|
| Cp,gas | 750.32 | J/mol×K | 691.98 | Joback Calculated Property |
| Cp,gas | 770.05 | J/mol×K | 724.63 | Joback Calculated Property |
| Cp,gas | 788.70 | J/mol×K | 757.28 | Joback Calculated Property |
| Cp,gas | 806.31 | J/mol×K | 789.93 | Joback Calculated Property |
| Cp,gas | 822.92 | J/mol×K | 822.58 | Joback Calculated Property |
| Cp,gas | 838.57 | J/mol×K | 855.23 | Joback Calculated Property |
| Cp,gas | 853.30 | J/mol×K | 887.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2-methyloct-5-en-4-yl ester.
Sources
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