- InChI
- InChI=1S/C15H26O2/c1-5-7-9-11-15(16)17-14(10-8-6-2)12-13(3)4/h13-14H,5-7,9,11-12H2,1-4H3
- InChI Key
- MUXKWTODTLREAC-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCCCC
- Molecular Weight1
- 238.37
- 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° | 39.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.938 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1685.18 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Tboil | 627.01 | K | Joback Calculated Property |
| Tc | 816.50 | K | Joback Calculated Property |
| Tfus | 407.07 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.84; 675.67] | J/mol×K | [627.01; 816.50] |
|
| Cp,gas | 581.84 | J/mol×K | 627.01 | Joback Calculated Property |
| Cp,gas | 599.50 | J/mol×K | 658.59 | Joback Calculated Property |
| Cp,gas | 616.33 | J/mol×K | 690.17 | Joback Calculated Property |
| Cp,gas | 632.35 | J/mol×K | 721.76 | Joback Calculated Property |
| Cp,gas | 647.57 | J/mol×K | 753.34 | Joback Calculated Property |
| Cp,gas | 662.00 | J/mol×K | 784.92 | Joback Calculated Property |
| Cp,gas | 675.67 | J/mol×K | 816.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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