- InChI
- InChI=1S/C5H8Cl2O2/c1-9-5(8)3-2-4(6)7/h4H,2-3H2,1H3
- InChI Key
- FLTUWIKFBYMPIV-UHFFFAOYSA-N
- Formula
- C5H8Cl2O2
- SMILES
- COC(=O)CCC(Cl)Cl
- Molecular Weight1
- 171.02
- CAS
- 81236-55-7
- Other Names
-
- 4,4-Dichlorobutanoic acid, methyl 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.
- 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° | -269.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.26 | 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 | 3388.08 | kPa | Joback Calculated Property |
| Inp | [1037.00; 1047.00] |
|
|
| Inp | 1045.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Tboil | 464.51 | K | Joback Calculated Property |
| Tc | 661.42 | K | Joback Calculated Property |
| Tfus | 263.11 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.55; 254.06] | J/mol×K | [464.51; 661.42] |
|
| Cp,gas | 209.55 | J/mol×K | 464.51 | Joback Calculated Property |
| Cp,gas | 217.82 | J/mol×K | 497.33 | Joback Calculated Property |
| Cp,gas | 225.76 | J/mol×K | 530.15 | Joback Calculated Property |
| Cp,gas | 233.34 | J/mol×K | 562.97 | Joback Calculated Property |
| Cp,gas | 240.59 | J/mol×K | 595.78 | Joback Calculated Property |
| Cp,gas | 247.49 | J/mol×K | 628.60 | Joback Calculated Property |
| Cp,gas | 254.06 | J/mol×K | 661.42 | Joback Calculated Property |
| η | [0.0003158; 0.0039296] | Pa×s | [263.11; 464.51] |
|
| η | 0.0039296 | Pa×s | 263.11 | Joback Calculated Property |
| η | 0.0020352 | Pa×s | 296.68 | Joback Calculated Property |
| η | 0.0012050 | Pa×s | 330.24 | Joback Calculated Property |
| η | 0.0007858 | Pa×s | 363.81 | Joback Calculated Property |
| η | 0.0005509 | Pa×s | 397.38 | Joback Calculated Property |
| η | 0.0004081 | Pa×s | 430.94 | Joback Calculated Property |
| η | 0.0003158 | Pa×s | 464.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4,4-dichlorobutanoate.
Sources
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