- InChI
- InChI=1S/C31H60O4/c1-7-10-11-12-13-14-15-16-17-18-19-20-25-34-29(32)31(8-2,9-3)30(33)35-26-24-28(6)23-21-22-27(4)5/h27-28H,7-26H2,1-6H3
- InChI Key
- ABGPBEHBSBTUBP-UHFFFAOYSA-N
- Formula
- C31H60O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C
(=O)OCCC(C)CCCC(C)C - Molecular Weight1
- 496.81
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -259.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1192.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.84 | kJ/mol | Joback Calculated Property |
| log10WS | -9.80 | Crippen Calculated Property | |
| logPoct/wat | 9.433 | Crippen Calculated Property | |
| McVol | 462.530 | ml/mol | McGowan Calculated Property |
| Pc | 604.58 | kPa | Joback Calculated Property |
| Inp | [3020.00; 3020.00] |
|
|
| Inp | 3020.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Tboil | 1057.15 | K | Joback Calculated Property |
| Tc | 1321.25 | K | Joback Calculated Property |
| Tfus | 555.87 | K | Joback Calculated Property |
| Vc | 1.796 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1670.88; 1783.08] | J/mol×K | [1057.15; 1321.25] |
|
| Cp,gas | 1670.88 | J/mol×K | 1057.15 | Joback Calculated Property |
| Cp,gas | 1694.76 | J/mol×K | 1101.17 | Joback Calculated Property |
| Cp,gas | 1716.36 | J/mol×K | 1145.18 | Joback Calculated Property |
| Cp,gas | 1735.83 | J/mol×K | 1189.20 | Joback Calculated Property |
| Cp,gas | 1753.35 | J/mol×K | 1233.22 | Joback Calculated Property |
| Cp,gas | 1769.04 | J/mol×K | 1277.23 | Joback Calculated Property |
| Cp,gas | 1783.08 | J/mol×K | 1321.25 | Joback Calculated Property |
| η | [0.0000060; 0.0002305] | Pa×s | [555.87; 1057.15] |
|
| η | 0.0002305 | Pa×s | 555.87 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 639.42 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 722.96 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 806.51 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 890.06 | Joback Calculated Property |
| η | 0.0000085 | Pa×s | 973.60 | Joback Calculated Property |
| η | 0.0000060 | Pa×s | 1057.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3,7-dimethyloctyl tetradecyl ester.
Sources
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