- InChI
- InChI=1S/C31H51ClO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-35-29(33)31(6-2,7-3)30(34)36-27-22-23-28(32)26(4)25-27/h22-23,25H,5-21,24H2,1-4H3
- InChI Key
- JFCAIWWJBHOHKD-UHFFFAOYSA-N
- Formula
- C31H51ClO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)Oc1ccc(Cl)c(C)c1 - Molecular Weight1
- 523.19
- 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.
- 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 | 1.2819 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.775 | Crippen Calculated Property | |
| McVol | 451.010 | ml/mol | McGowan Calculated Property |
| Pc | 685.65 | kPa | Joback Calculated Property |
| Inp | 3500.00 | NIST | |
| Tboil | 708.48 | K | Relay (1.0) Calculated Property |
| Tc | 930.70 | K | Relay (1.0) Calculated Property |
| Tfus | 336.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.660 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1584.53; 1667.62] | J/mol×K | [1132.10; 1406.24] | 
|
| Cp,gas | 1584.53 | J/mol×K | 1132.10 | Joback Calculated Property |
| Cp,gas | 1602.84 | J/mol×K | 1177.79 | Joback Calculated Property |
| Cp,gas | 1619.14 | J/mol×K | 1223.48 | Joback Calculated Property |
| Cp,gas | 1633.61 | J/mol×K | 1269.17 | Joback Calculated Property |
| Cp,gas | 1646.40 | J/mol×K | 1314.86 | Joback Calculated Property |
| Cp,gas | 1657.68 | J/mol×K | 1360.55 | Joback Calculated Property |
| Cp,gas | 1667.62 | J/mol×K | 1406.24 | Joback Calculated Property |
| η | [0.0000065; 0.0000922] | Pa×s | [667.25; 1132.10] |
|
| η | 0.0000922 | Pa×s | 667.25 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 744.73 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 822.20 | Joback Calculated Property |
| η | 0.0000174 | Pa×s | 899.67 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 977.15 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 1054.62 | Joback Calculated Property |
| η | 0.0000065 | Pa×s | 1132.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-chloro-3-methylphenyl heptadecyl ester.
Sources
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