- InChI
- InChI=1S/C19H36O4/c1-6-7-8-9-10-11-14-22-17(20)19(4,5)18(21)23-15-12-13-16(2)3/h16H,6-15H2,1-5H3
- InChI Key
- NKGZCOFGPVRLNV-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)OCCC
C(C)C - Molecular Weight1
- 328.49
- 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 | 0.8806 | Relay (1.0) Calculated Property | |
| ΔfG° | -511.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1107.42 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 576.53 | K | Relay (1.0) Calculated Property |
| Tc | 767.50 | K | Relay (1.0) Calculated Property |
| Tfus | 250.01 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.28; 989.10] | J/mol×K | [747.09; 926.85] |
|
| Cp,gas | 894.28 | J/mol×K | 747.09 | Joback Calculated Property |
| Cp,gas | 912.66 | J/mol×K | 777.05 | Joback Calculated Property |
| Cp,gas | 929.97 | J/mol×K | 807.01 | Joback Calculated Property |
| Cp,gas | 946.24 | J/mol×K | 836.97 | Joback Calculated Property |
| Cp,gas | 961.50 | J/mol×K | 866.93 | Joback Calculated Property |
| Cp,gas | 975.78 | J/mol×K | 896.89 | Joback Calculated Property |
| Cp,gas | 989.10 | J/mol×K | 926.85 | Joback Calculated Property |
| η | [0.0000370; 0.0023988] | Pa×s | [375.97; 747.09] |
|
| η | 0.0023988 | Pa×s | 375.97 | Joback Calculated Property |
| η | 0.0007324 | Pa×s | 437.82 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 499.68 | Joback Calculated Property |
| η | 0.0001496 | Pa×s | 561.53 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 623.38 | Joback Calculated Property |
| η | 0.0000542 | Pa×s | 685.24 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 747.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl octyl ester.
Sources
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