- InChI
- InChI=1S/C12H19ClO2/c1-4-5-6-11(9-10(2)3)15-12(14)7-8-13/h10-11H,4,7-9H2,1-3H3
- InChI Key
- UZTJDQYZKQSKGR-UHFFFAOYSA-N
- Formula
- C12H19ClO2
- SMILES
- CCC#CC(CC(C)C)OC(=O)CCCl
- Molecular Weight1
- 230.73
- 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° | 2.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 2.987 | Crippen Calculated Property | |
| McVol | 191.020 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [1463.00; 1463.00] |
|
|
| Inp | 1463.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Tboil | 595.80 | K | Joback Calculated Property |
| Tc | 796.63 | K | Joback Calculated Property |
| Tfus | 403.18 | K | Joback Calculated Property |
| Vc | 0.731 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [458.46; 538.26] | J/mol×K | [595.80; 796.63] |
|
| Cp,gas | 458.46 | J/mol×K | 595.80 | Joback Calculated Property |
| Cp,gas | 473.57 | J/mol×K | 629.27 | Joback Calculated Property |
| Cp,gas | 487.94 | J/mol×K | 662.74 | Joback Calculated Property |
| Cp,gas | 501.58 | J/mol×K | 696.22 | Joback Calculated Property |
| Cp,gas | 514.51 | J/mol×K | 729.69 | Joback Calculated Property |
| Cp,gas | 526.73 | J/mol×K | 763.16 | Joback Calculated Property |
| Cp,gas | 538.26 | J/mol×K | 796.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester.
Sources
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