- InChI
- InChI=1S/C9H13ClO2/c1-3-5-8(4-2)12-9(11)6-7-10/h8H,4,6-7H2,1-2H3
- InChI Key
- GEBZZBIUKLVCOU-UHFFFAOYSA-N
- Formula
- C9H13ClO2
- SMILES
- CC#CC(CC)OC(=O)CCCl
- 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° | -20.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.93 | 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 | 2755.56 | kPa | Joback Calculated Property |
| Inp | 1277.00 | NIST | |
| Tboil | 527.60 | K | Joback Calculated Property |
| Tc | 733.26 | K | Joback Calculated Property |
| Tfus | 384.37 | K | Joback Calculated Property |
| Vc | 0.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.40; 382.53] | J/mol×K | [527.60; 733.26] | 
|
| Cp,gas | 317.40 | J/mol×K | 527.60 | Joback Calculated Property |
| Cp,gas | 329.61 | J/mol×K | 561.88 | Joback Calculated Property |
| Cp,gas | 341.28 | J/mol×K | 596.15 | Joback Calculated Property |
| Cp,gas | 352.40 | J/mol×K | 630.43 | Joback Calculated Property |
| Cp,gas | 362.98 | J/mol×K | 664.71 | Joback Calculated Property |
| Cp,gas | 373.02 | J/mol×K | 698.98 | Joback Calculated Property |
| Cp,gas | 382.53 | J/mol×K | 733.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, hex-4-yn-3-yl ester.
Sources
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