- InChI
- InChI=1S/C9H13ClO2/c1-3-8(2)12-9(11)6-4-5-7-10/h1,8H,4-7H2,2H3
- InChI Key
- DKDCXIDSBYMDQQ-UHFFFAOYSA-N
- Formula
- C9H13ClO2
- SMILES
- C#CC(C)OC(=O)CCCCCl
- Molecular Weight1
- 188.65
- 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° | -0.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 1.960 | Crippen Calculated Property | |
| McVol | 148.750 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Inp | 1291.10 | NIST | |
| Tboil | 508.72 | K | Joback Calculated Property |
| Tc | 703.70 | K | Joback Calculated Property |
| Tfus | 325.24 | K | Joback Calculated Property |
| Vc | 0.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.47; 380.02] | J/mol×K | [508.72; 703.70] | 
|
| Cp,gas | 317.47 | J/mol×K | 508.72 | Joback Calculated Property |
| Cp,gas | 329.23 | J/mol×K | 541.22 | Joback Calculated Property |
| Cp,gas | 340.44 | J/mol×K | 573.71 | Joback Calculated Property |
| Cp,gas | 351.11 | J/mol×K | 606.21 | Joback Calculated Property |
| Cp,gas | 361.26 | J/mol×K | 638.70 | Joback Calculated Property |
| Cp,gas | 370.89 | J/mol×K | 671.20 | Joback Calculated Property |
| Cp,gas | 380.02 | J/mol×K | 703.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, but-3-yn-2-yl ester.
Sources
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