- InChI
- InChI=1S/C31H60O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-34-28(32)31(9-2,10-3)29(33)35-26-27(4)25-30(5,6)7/h27H,8-26H2,1-7H3
- InChI Key
- XZDNYJCJZUMHPF-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)OCC(C)CC(C)(C)C - Molecular Weight1
- 496.81
- 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 | 1.2124 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1310.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.433 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 607.86 | kPa | Joback Calculated Property |
| Inp | 3033.00 | NIST | |
| Tboil | 674.06 | K | Relay (1.0) Calculated Property |
| Tc | 860.39 | K | Relay (1.0) Calculated Property |
| Tfus | 306.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1670.37; 1788.08] | J/mol×K | [1054.36; 1311.96] | 
|
| Cp,gas | 1670.37 | J/mol×K | 1054.36 | Joback Calculated Property |
| Cp,gas | 1694.20 | J/mol×K | 1097.29 | Joback Calculated Property |
| Cp,gas | 1716.11 | J/mol×K | 1140.23 | Joback Calculated Property |
| Cp,gas | 1736.27 | J/mol×K | 1183.16 | Joback Calculated Property |
| Cp,gas | 1754.87 | J/mol×K | 1226.10 | Joback Calculated Property |
| Cp,gas | 1772.08 | J/mol×K | 1269.03 | Joback Calculated Property |
| Cp,gas | 1788.08 | J/mol×K | 1311.96 | Joback Calculated Property |
| η | [0.0000049; 0.0001741] | Pa×s | [573.29; 1054.36] |
|
| η | 0.0001741 | Pa×s | 573.29 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 653.47 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 733.65 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 813.83 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 894.00 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 974.18 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 1054.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexadecyl 2,4,4-trimethylpentyl ester.
Sources
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