- InChI
- InChI=1S/C17H29ClO2/c1-2-3-4-5-6-7-8-9-10-13-16-20-17(19)14-11-12-15-18/h2,5-16H2,1H3
- InChI Key
- RUPFATUHMIZGOQ-UHFFFAOYSA-N
- Formula
- C17H29ClO2
- SMILES
- CCC#CCCCCCCCCOC(=O)CCCCCl
- Molecular Weight1
- 300.86
- 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° | 49.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.75 | Crippen Calculated Property | |
| logPoct/wat | 5.083 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | [2205.70; 2205.70] |
|
|
| Inp | 2205.70 | NIST | |
| Inp | 2205.70 | NIST | |
| Tboil | 711.08 | K | Joback Calculated Property |
| Tc | 896.39 | K | Joback Calculated Property |
| Tfus | 489.53 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.03; 812.80] | J/mol×K | [711.08; 896.39] |
|
| Cp,gas | 723.03 | J/mol×K | 711.08 | Joback Calculated Property |
| Cp,gas | 740.04 | J/mol×K | 741.96 | Joback Calculated Property |
| Cp,gas | 756.20 | J/mol×K | 772.85 | Joback Calculated Property |
| Cp,gas | 771.53 | J/mol×K | 803.73 | Joback Calculated Property |
| Cp,gas | 786.07 | J/mol×K | 834.62 | Joback Calculated Property |
| Cp,gas | 799.81 | J/mol×K | 865.50 | Joback Calculated Property |
| Cp,gas | 812.80 | J/mol×K | 896.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, dodec-9-ynyl ester.
Sources
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