- InChI
- InChI=1S/C5H8Cl2O2/c1-5(6,7)3-4(8)9-2/h3H2,1-2H3
- InChI Key
- NYIDWPOSGNPCLN-UHFFFAOYSA-N
- Formula
- C5H8Cl2O2
- SMILES
- COC(=O)CC(C)(Cl)Cl
- Molecular Weight1
- 171.02
- 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.
- 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° | -263.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.743 | Crippen Calculated Property | |
| McVol | 113.230 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | [949.00; 960.00] |
|
|
| Inp | 958.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 958.00 | NIST | |
| Tboil | 461.72 | K | Joback Calculated Property |
| Tc | 666.97 | K | Joback Calculated Property |
| Tfus | 280.53 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.59; 258.80] | J/mol×K | [461.72; 666.97] |
|
| Cp,gas | 212.59 | J/mol×K | 461.72 | Joback Calculated Property |
| Cp,gas | 221.52 | J/mol×K | 495.93 | Joback Calculated Property |
| Cp,gas | 229.94 | J/mol×K | 530.14 | Joback Calculated Property |
| Cp,gas | 237.86 | J/mol×K | 564.34 | Joback Calculated Property |
| Cp,gas | 245.30 | J/mol×K | 598.55 | Joback Calculated Property |
| Cp,gas | 252.27 | J/mol×K | 632.76 | Joback Calculated Property |
| Cp,gas | 258.80 | J/mol×K | 666.97 | Joback Calculated Property |
| η | [0.0003350; 0.0037813] | Pa×s | [280.53; 461.72] |
|
| η | 0.0037813 | Pa×s | 280.53 | Joback Calculated Property |
| η | 0.0020747 | Pa×s | 310.73 | Joback Calculated Property |
| η | 0.0012660 | Pa×s | 340.93 | Joback Calculated Property |
| η | 0.0008372 | Pa×s | 371.12 | Joback Calculated Property |
| η | 0.0005892 | Pa×s | 401.32 | Joback Calculated Property |
| η | 0.0004356 | Pa×s | 431.52 | Joback Calculated Property |
| η | 0.0003350 | Pa×s | 461.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Dichlorobutanoic acid, methyl ester.
Sources
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