- InChI
- InChI=1S/C22H33ClO4/c1-4-5-6-7-8-9-10-11-12-17-26-20(24)22(2,3)21(25)27-19-15-13-18(23)14-16-19/h13-16H,4-12,17H2,1-3H3
- InChI Key
- KLTOJAXRXCYBJN-UHFFFAOYSA-N
- Formula
- C22H33ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)O
c1ccc(Cl)cc1 - Molecular Weight1
- 396.95
- 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 | 0.9870 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.346 | Crippen Calculated Property | |
| McVol | 324.200 | ml/mol | McGowan Calculated Property |
| Pc | 1156.93 | kPa | Joback Calculated Property |
| Inp | 2584.00 | NIST | |
| Tboil | 643.55 | K | Relay (1.0) Calculated Property |
| Tc | 860.46 | K | Relay (1.0) Calculated Property |
| Tfus | 307.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.205 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.74; 1100.43] | J/mol×K | [921.20; 1133.31] | 
|
| Cp,gas | 1024.74 | J/mol×K | 921.20 | Joback Calculated Property |
| Cp,gas | 1040.19 | J/mol×K | 956.55 | Joback Calculated Property |
| Cp,gas | 1054.44 | J/mol×K | 991.90 | Joback Calculated Property |
| Cp,gas | 1067.54 | J/mol×K | 1027.26 | Joback Calculated Property |
| Cp,gas | 1079.53 | J/mol×K | 1062.61 | Joback Calculated Property |
| Cp,gas | 1090.48 | J/mol×K | 1097.96 | Joback Calculated Property |
| Cp,gas | 1100.43 | J/mol×K | 1133.31 | Joback Calculated Property |
| η | [0.0000271; 0.0003423] | Pa×s | [553.30; 921.20] |
|
| η | 0.0003423 | Pa×s | 553.30 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 614.62 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 675.93 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 737.25 | Joback Calculated Property |
| η | 0.0000487 | Pa×s | 798.57 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 859.88 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 921.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 4-chlorophenyl undecyl ester.
Sources
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