- InChI
- InChI=1S/C7H13ClO2/c1-5(2)10-7(9)4-6(3)8/h5-6H,4H2,1-3H3
- InChI Key
- RRJXSIDJOSFDSU-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CC(Cl)CC(=O)OC(C)C
- Molecular Weight1
- 164.63
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- I : 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 | 0.4603 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.955 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | [968.00; 990.00] |
|
|
| Inp | 974.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 982.00 | NIST | |
| I | [1347.00; 1376.00] |
|
|
| I | 1356.00 | NIST | |
| I | 1376.00 | NIST | |
| I | 1353.00 | NIST | |
| I | 1347.00 | NIST | |
| I | 1356.00 | NIST | |
| Tboil | 407.59 | K | Relay (1.0) Calculated Property |
| Tc | 615.53 | K | Relay (1.0) Calculated Property |
| Tfus | 244.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.477 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.59; 327.32] | J/mol×K | [472.40; 663.16] |
|
| Cp,gas | 265.59 | J/mol×K | 472.40 | Joback Calculated Property |
| Cp,gas | 277.03 | J/mol×K | 504.19 | Joback Calculated Property |
| Cp,gas | 288.00 | J/mol×K | 535.99 | Joback Calculated Property |
| Cp,gas | 298.52 | J/mol×K | 567.78 | Joback Calculated Property |
| Cp,gas | 308.57 | J/mol×K | 599.57 | Joback Calculated Property |
| Cp,gas | 318.17 | J/mol×K | 631.37 | Joback Calculated Property |
| Cp,gas | 327.32 | J/mol×K | 663.16 | Joback Calculated Property |
| η | [0.0002547; 0.0064287] | Pa×s | [240.73; 472.40] |
|
| η | 0.0064287 | Pa×s | 240.73 | Joback Calculated Property |
| η | 0.0025878 | Pa×s | 279.34 | Joback Calculated Property |
| η | 0.0012993 | Pa×s | 317.95 | Joback Calculated Property |
| η | 0.0007574 | Pa×s | 356.56 | Joback Calculated Property |
| η | 0.0004906 | Pa×s | 395.18 | Joback Calculated Property |
| η | 0.0003433 | Pa×s | 433.79 | Joback Calculated Property |
| η | 0.0002547 | Pa×s | 472.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 1-methylethyl ester.
Sources
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