- InChI
- InChI=1S/C16H27ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16(18)13-14-17/h2-10,13-15H2,1H3
- InChI Key
- FWHBIDZGLNVDFD-UHFFFAOYSA-N
- Formula
- C16H27ClO2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCCl
- Molecular Weight1
- 286.84
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7626 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.693 | Crippen Calculated Property | |
| McVol | 247.380 | ml/mol | McGowan Calculated Property |
| Pc | 1496.51 | kPa | Joback Calculated Property |
| Inp | [2030.00; 2030.00] |
|
|
| Inp | 2030.00 | NIST | |
| Inp | 2030.00 | NIST | |
| Tboil | 572.71 | K | Relay (1.0) Calculated Property |
| Tc | 781.77 | K | Relay (1.0) Calculated Property |
| Tfus | 277.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.903 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.29; 755.08] | J/mol×K | [688.20; 874.33] |
|
| Cp,gas | 667.29 | J/mol×K | 688.20 | Joback Calculated Property |
| Cp,gas | 683.89 | J/mol×K | 719.22 | Joback Calculated Property |
| Cp,gas | 699.68 | J/mol×K | 750.24 | Joback Calculated Property |
| Cp,gas | 714.68 | J/mol×K | 781.26 | Joback Calculated Property |
| Cp,gas | 728.90 | J/mol×K | 812.29 | Joback Calculated Property |
| Cp,gas | 742.36 | J/mol×K | 843.31 | Joback Calculated Property |
| Cp,gas | 755.08 | J/mol×K | 874.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, tridec-2-ynyl ester.
Sources
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