- InChI
- InChI=1S/C15H23ClO2/c1-12(2)8-9-14(11-13(3)4)18-15(17)7-5-6-10-16/h13-14H,1,5-7,10-11H2,2-4H3
- InChI Key
- MABVZJMLUHQMDS-UHFFFAOYSA-N
- Formula
- C15H23ClO2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)CCCCCl
- Molecular Weight1
- 270.80
- 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° | 106.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 3.933 | Crippen Calculated Property | |
| McVol | 228.990 | ml/mol | McGowan Calculated Property |
| Pc | 1699.10 | kPa | Joback Calculated Property |
| Inp | 1750.80 | NIST | |
| Tboil | 661.00 | K | Joback Calculated Property |
| Tc | 860.52 | K | Joback Calculated Property |
| Tfus | 421.27 | K | Joback Calculated Property |
| Vc | 0.880 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.44; 676.41] | J/mol×K | [661.00; 860.52] | 
|
| Cp,gas | 590.44 | J/mol×K | 661.00 | Joback Calculated Property |
| Cp,gas | 606.87 | J/mol×K | 694.25 | Joback Calculated Property |
| Cp,gas | 622.42 | J/mol×K | 727.51 | Joback Calculated Property |
| Cp,gas | 637.13 | J/mol×K | 760.76 | Joback Calculated Property |
| Cp,gas | 651.01 | J/mol×K | 794.01 | Joback Calculated Property |
| Cp,gas | 664.10 | J/mol×K | 827.27 | Joback Calculated Property |
| Cp,gas | 676.41 | J/mol×K | 860.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester.
Sources
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