- InChI
- InChI=1S/C7H12Cl2O2/c1-5(2)4-11-7(10)6(9)3-8/h5-6H,3-4H2,1-2H3
- InChI Key
- WHVMKUBKNGLRBV-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CC(C)COC(=O)C(Cl)CCl
- Molecular Weight1
- 199.07
- Other Names
-
- Propanoic acid, 2,3-dichloro, 2-methylropyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -254.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.33 | kJ/mol | Joback Calculated Property |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 2.032 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Inp | [1145.00; 1145.00] |
|
|
| Inp | 1145.00 | NIST | |
| Inp | 1145.00 | NIST | |
| I | 1615.00 | NIST | |
| Tboil | 509.83 | K | Joback Calculated Property |
| Tc | 706.13 | K | Joback Calculated Property |
| Tfus | 270.65 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.25; 349.65] | J/mol×K | [509.83; 706.13] |
|
| Cp,gas | 291.25 | J/mol×K | 509.83 | Joback Calculated Property |
| Cp,gas | 302.21 | J/mol×K | 542.55 | Joback Calculated Property |
| Cp,gas | 312.68 | J/mol×K | 575.26 | Joback Calculated Property |
| Cp,gas | 322.65 | J/mol×K | 607.98 | Joback Calculated Property |
| Cp,gas | 332.13 | J/mol×K | 640.70 | Joback Calculated Property |
| Cp,gas | 341.13 | J/mol×K | 673.41 | Joback Calculated Property |
| Cp,gas | 349.65 | J/mol×K | 706.13 | Joback Calculated Property |
| η | [0.0002511; 0.0052697] | Pa×s | [270.65; 509.83] |
|
| η | 0.0052697 | Pa×s | 270.65 | Joback Calculated Property |
| η | 0.0022910 | Pa×s | 310.51 | Joback Calculated Property |
| η | 0.0012039 | Pa×s | 350.38 | Joback Calculated Property |
| η | 0.0007215 | Pa×s | 390.24 | Joback Calculated Property |
| η | 0.0004754 | Pa×s | 430.10 | Joback Calculated Property |
| η | 0.0003363 | Pa×s | 469.97 | Joback Calculated Property |
| η | 0.0002511 | Pa×s | 509.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl 2,3-dichloropropanoate.
Sources
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