- InChI
- InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30-25(28)27(4,5)26(29)31-23-20-21-24(2)3/h24H,6-23H2,1-5H3
- InChI Key
- GGPXTOLHYAPVLH-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C
(=O)OCCCC(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 | 1.1649 | Relay (1.0) Calculated Property | |
| ΔfG° | -443.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1227.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.017 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 702.47 | kPa | Joback Calculated Property |
| Inp | 2764.00 | NIST | |
| Tboil | 636.20 | K | Relay (1.0) Calculated Property |
| Tc | 830.13 | K | Relay (1.0) Calculated Property |
| Tfus | 284.38 | K | Relay (1.0) Calculated Property |
| Vc | 1.566 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1390.22; 1494.00] | J/mol×K | [930.13; 1141.89] | 
|
| Cp,gas | 1390.22 | J/mol×K | 930.13 | Joback Calculated Property |
| Cp,gas | 1411.37 | J/mol×K | 965.42 | Joback Calculated Property |
| Cp,gas | 1430.89 | J/mol×K | 1000.72 | Joback Calculated Property |
| Cp,gas | 1448.84 | J/mol×K | 1036.01 | Joback Calculated Property |
| Cp,gas | 1465.29 | J/mol×K | 1071.31 | Joback Calculated Property |
| Cp,gas | 1480.32 | J/mol×K | 1106.60 | Joback Calculated Property |
| Cp,gas | 1494.00 | J/mol×K | 1141.89 | Joback Calculated Property |
| η | [0.0000099; 0.0006496] | Pa×s | [466.13; 930.13] |
|
| η | 0.0006496 | Pa×s | 466.13 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 543.46 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 620.80 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 698.13 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 775.46 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 852.80 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 930.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexadecyl isohexyl ester.
Sources
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