- InChI
- InChI=1S/C27H52O4/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(5,6)26(29)31-24(8-2)23(3)4/h23-24H,7-22H2,1-6H3
- InChI Key
- FGOALVWKTQAWFY-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C
(=O)OC(CC)C(C)C - Molecular Weight1
- 440.70
- 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 | 1.1265 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1231.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.015 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 737.22 | kPa | Joback Calculated Property |
| Inp | 2756.00 | NIST | |
| Tboil | 633.20 | K | Relay (1.0) Calculated Property |
| Tc | 826.82 | K | Relay (1.0) Calculated Property |
| Tfus | 284.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1410.02; 1514.25] | J/mol×K | [965.63; 1186.37] | 
|
| Cp,gas | 1410.02 | J/mol×K | 965.63 | Joback Calculated Property |
| Cp,gas | 1431.21 | J/mol×K | 1002.42 | Joback Calculated Property |
| Cp,gas | 1450.77 | J/mol×K | 1039.21 | Joback Calculated Property |
| Cp,gas | 1468.78 | J/mol×K | 1076.00 | Joback Calculated Property |
| Cp,gas | 1485.31 | J/mol×K | 1112.79 | Joback Calculated Property |
| Cp,gas | 1500.44 | J/mol×K | 1149.58 | Joback Calculated Property |
| Cp,gas | 1514.25 | J/mol×K | 1186.37 | Joback Calculated Property |
| η | [0.0000117; 0.0004279] | Pa×s | [510.79; 965.63] |
|
| η | 0.0004279 | Pa×s | 510.79 | Joback Calculated Property |
| η | 0.0001593 | Pa×s | 586.60 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 662.40 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 738.21 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 814.02 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 889.82 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 965.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexadecyl 2-methylpent-3-yl ester.
Sources
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