- InChI
- InChI=1S/C16H25ClO2/c1-5-8-14(4)15(11-10-13(2)3)19-16(18)9-6-7-12-17/h14-15H,2,5-9,12H2,1,3-4H3
- InChI Key
- QPMAFXVSIZPLAK-UHFFFAOYSA-N
- Formula
- C16H25ClO2
- SMILES
-
C=C(C)C#CC(OC(=O)CCCCCl)C(C)CC
C - Molecular Weight1
- 284.82
- 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° | 115.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.05 | Crippen Calculated Property | |
| logPoct/wat | 4.323 | Crippen Calculated Property | |
| McVol | 243.080 | ml/mol | McGowan Calculated Property |
| Pc | 1572.21 | kPa | Joback Calculated Property |
| Inp | 1825.40 | NIST | |
| Tboil | 683.88 | K | Joback Calculated Property |
| Tc | 881.15 | K | Joback Calculated Property |
| Tfus | 432.54 | K | Joback Calculated Property |
| Vc | 0.936 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.26; 732.37] | J/mol×K | [683.88; 881.15] | 
|
| Cp,gas | 644.26 | J/mol×K | 683.88 | Joback Calculated Property |
| Cp,gas | 661.11 | J/mol×K | 716.76 | Joback Calculated Property |
| Cp,gas | 677.05 | J/mol×K | 749.64 | Joback Calculated Property |
| Cp,gas | 692.13 | J/mol×K | 782.51 | Joback Calculated Property |
| Cp,gas | 706.35 | J/mol×K | 815.39 | Joback Calculated Property |
| Cp,gas | 719.76 | J/mol×K | 848.27 | Joback Calculated Property |
| Cp,gas | 732.37 | J/mol×K | 881.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.
Sources
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