- InChI
- InChI=1S/C16H18Cl2O5/c1-4-5-6-22-14(20)16(2,3)15(21)23-13-10(9-19)7-11(17)8-12(13)18/h7-9H,4-6H2,1-3H3
- InChI Key
- UUTYWDOINDULJK-UHFFFAOYSA-N
- Formula
- C16H18Cl2O5
- SMILES
-
CCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)
cc(Cl)cc1C=O - Molecular Weight1
- 361.22
- 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° | -421.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.98 | kJ/mol | Joback Calculated Property |
| log10WS | -4.95 | Crippen Calculated Property | |
| logPoct/wat | 4.081 | Crippen Calculated Property | |
| McVol | 253.470 | ml/mol | McGowan Calculated Property |
| Pc | 1800.03 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 879.97 | K | Joback Calculated Property |
| Tc | 1101.81 | K | Joback Calculated Property |
| Tfus | 582.64 | K | Joback Calculated Property |
| Vc | 0.976 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.01; 760.06] | J/mol×K | [879.97; 1101.81] |
|
| Cp,gas | 709.01 | J/mol×K | 879.97 | Joback Calculated Property |
| Cp,gas | 719.99 | J/mol×K | 916.94 | Joback Calculated Property |
| Cp,gas | 729.95 | J/mol×K | 953.92 | Joback Calculated Property |
| Cp,gas | 738.91 | J/mol×K | 990.89 | Joback Calculated Property |
| Cp,gas | 746.89 | J/mol×K | 1027.86 | Joback Calculated Property |
| Cp,gas | 753.93 | J/mol×K | 1064.83 | Joback Calculated Property |
| Cp,gas | 760.06 | J/mol×K | 1101.81 | Joback Calculated Property |
| η | [0.0000624; 0.0004013] | Pa×s | [582.64; 879.97] |
|
| η | 0.0004013 | Pa×s | 582.64 | Joback Calculated Property |
| η | 0.0002606 | Pa×s | 632.19 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 681.75 | Joback Calculated Property |
| η | 0.0001310 | Pa×s | 731.31 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 780.86 | Joback Calculated Property |
| η | 0.0000776 | Pa×s | 830.41 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 879.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, butyl 2,4-dichloro-6-formylphenyl ester.
Sources
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