- InChI
- InChI=1S/C11H17ClO2/c1-3-7-10(4-2)14-11(13)8-5-6-9-12/h10H,4-6,8-9H2,1-2H3
- InChI Key
- PVSFHUUTAKAGCC-UHFFFAOYSA-N
- Formula
- C11H17ClO2
- SMILES
- CC#CC(CC)OC(=O)CCCCCl
- Molecular Weight1
- 216.70
- 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° | -3.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.741 | Crippen Calculated Property | |
| McVol | 176.930 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | [1524.50; 1524.50] |
|
|
| Inp | 1524.50 | NIST | |
| Inp | 1524.50 | NIST | |
| Tboil | 573.36 | K | Joback Calculated Property |
| Tc | 773.06 | K | Joback Calculated Property |
| Tfus | 406.91 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.42; 483.94] | J/mol×K | [573.36; 773.06] |
|
| Cp,gas | 409.42 | J/mol×K | 573.36 | Joback Calculated Property |
| Cp,gas | 423.46 | J/mol×K | 606.64 | Joback Calculated Property |
| Cp,gas | 436.84 | J/mol×K | 639.93 | Joback Calculated Property |
| Cp,gas | 449.56 | J/mol×K | 673.21 | Joback Calculated Property |
| Cp,gas | 461.65 | J/mol×K | 706.49 | Joback Calculated Property |
| Cp,gas | 473.11 | J/mol×K | 739.78 | Joback Calculated Property |
| Cp,gas | 483.94 | J/mol×K | 773.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, hex-4-yn-3-yl ester.
Sources
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