- InChI
- InChI=1S/C31H44O4/c1-4-7-8-9-10-11-12-13-14-18-25-34-29(32)31(5-2,6-3)30(33)35-28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,4-14,18,25H2,1-3H3
- InChI Key
- XXJQSYLCLBXJJI-UHFFFAOYSA-N
- Formula
- C31H44O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1ccc(-c2ccccc2)cc1 - Molecular Weight1
- 480.68
- 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° | -39.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.83 | kJ/mol | Joback Calculated Property |
| log10WS | -10.13 | Crippen Calculated Property | |
| logPoct/wat | 8.530 | Crippen Calculated Property | |
| McVol | 415.010 | ml/mol | McGowan Calculated Property |
| Pc | 847.02 | kPa | Joback Calculated Property |
| Inp | [3509.00; 3509.00] |
|
|
| Inp | 3509.00 | NIST | |
| Inp | 3509.00 | NIST | |
| Tboil | 1116.37 | K | Joback Calculated Property |
| Tc | 1369.23 | K | Joback Calculated Property |
| Tfus | 651.23 | K | Joback Calculated Property |
| Vc | 1.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1447.95; 1523.02] | J/mol×K | [1116.37; 1369.23] |
|
| Cp,gas | 1447.95 | J/mol×K | 1116.37 | Joback Calculated Property |
| Cp,gas | 1463.80 | J/mol×K | 1158.51 | Joback Calculated Property |
| Cp,gas | 1478.11 | J/mol×K | 1200.66 | Joback Calculated Property |
| Cp,gas | 1491.04 | J/mol×K | 1242.80 | Joback Calculated Property |
| Cp,gas | 1502.74 | J/mol×K | 1284.95 | Joback Calculated Property |
| Cp,gas | 1513.35 | J/mol×K | 1327.09 | Joback Calculated Property |
| Cp,gas | 1523.02 | J/mol×K | 1369.23 | Joback Calculated Property |
| η | [0.0000080; 0.0001192] | Pa×s | [651.23; 1116.37] |
|
| η | 0.0001192 | Pa×s | 651.23 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 728.75 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 806.28 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 883.80 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 961.32 | Joback Calculated Property |
| η | 0.0000106 | Pa×s | 1038.85 | Joback Calculated Property |
| η | 0.0000080 | Pa×s | 1116.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-biphenyl dodecyl ester.
Sources
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