- InChI
- InChI=1S/C7H13ClO2/c1-4-5(2)10-7(9)6(3)8/h5-6H,4H2,1-3H3
- InChI Key
- KHJJZURERFKRAA-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CCC(C)OC(=O)C(C)Cl
- Molecular Weight1
- 164.63
- CAS
- 22710-11-8
- Other Names
-
- Propanoic acid, 2-chloro, 1-methylpropyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -577.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.955 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Inp | [960.00; 984.00] |
|
|
| Inp | 967.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 967.00 | NIST | |
| I | [1311.00; 1335.00] |
|
|
| I | 1315.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1311.00 | NIST | |
| Tboil | 426.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.44; 324.52] | J/mol×K | [454.53; 642.02] |
|
| Cp,gas | 261.44 | J/mol×K | 454.53 | Joback Calculated Property |
| Cp,gas | 273.18 | J/mol×K | 485.78 | Joback Calculated Property |
| Cp,gas | 284.43 | J/mol×K | 517.03 | Joback Calculated Property |
| Cp,gas | 295.19 | J/mol×K | 548.27 | Joback Calculated Property |
| Cp,gas | 305.45 | J/mol×K | 579.52 | Joback Calculated Property |
| Cp,gas | 315.23 | J/mol×K | 610.77 | Joback Calculated Property |
| Cp,gas | 324.52 | J/mol×K | 642.02 | Joback Calculated Property |
| η | [0.0002420; 0.0143477] | Pa×s | [210.90; 454.53] |
|
| η | 0.0143477 | Pa×s | 210.90 | Joback Calculated Property |
| η | 0.0041954 | Pa×s | 251.50 | Joback Calculated Property |
| η | 0.0017267 | Pa×s | 292.11 | Joback Calculated Property |
| η | 0.0008826 | Pa×s | 332.72 | Joback Calculated Property |
| η | 0.0005221 | Pa×s | 373.32 | Joback Calculated Property |
| η | 0.0003423 | Pa×s | 413.92 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 454.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sec-butyl 2-chloropropanoate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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