- InChI
- InChI=1S/C16H26O2/c1-6-7-8-9-16(17)18-15(12-14(4)5)11-10-13(2)3/h14-15H,2,6-9,12H2,1,3-5H3
- InChI Key
- DBEQUMZHKFWGOD-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)CCCCC
- Molecular Weight1
- 250.38
- 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° | 127.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.15 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.104 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | [1569.00; 1569.00] |
|
|
| Inp | 1569.00 | NIST | |
| Inp | 1569.00 | NIST | |
| Tboil | 646.45 | K | Joback Calculated Property |
| Tc | 839.85 | K | Joback Calculated Property |
| Tfus | 402.62 | K | Joback Calculated Property |
| Vc | 0.887 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.78; 706.88] | J/mol×K | [646.45; 839.85] |
|
| Cp,gas | 612.78 | J/mol×K | 646.45 | Joback Calculated Property |
| Cp,gas | 630.61 | J/mol×K | 678.68 | Joback Calculated Property |
| Cp,gas | 647.55 | J/mol×K | 710.92 | Joback Calculated Property |
| Cp,gas | 663.62 | J/mol×K | 743.15 | Joback Calculated Property |
| Cp,gas | 678.85 | J/mol×K | 775.39 | Joback Calculated Property |
| Cp,gas | 693.26 | J/mol×K | 807.62 | Joback Calculated Property |
| Cp,gas | 706.88 | J/mol×K | 839.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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