- InChI
- InChI=1S/C27H42O5/c1-4-7-8-9-10-11-12-13-14-15-18-21-31-25(29)27(5-2,6-3)26(30)32-24-20-17-16-19-23(24)22-28/h16-17,19-20,22H,4-15,18,21H2,1-3H3
- InChI Key
- KLDCVCVOBYGGPO-UHFFFAOYSA-N
- Formula
- C27H42O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1ccccc1C=O - Molecular Weight1
- 446.62
- 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° | -285.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -959.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.37 | kJ/mol | Joback Calculated Property |
| log10WS | -8.18 | Crippen Calculated Property | |
| logPoct/wat | 7.065 | Crippen Calculated Property | |
| McVol | 383.980 | ml/mol | McGowan Calculated Property |
| Pc | 913.29 | kPa | Joback Calculated Property |
| Inp | [3070.00; 3070.00] |
|
|
| Inp | 3070.00 | NIST | |
| Inp | 3070.00 | NIST | |
| Tboil | 1046.83 | K | Joback Calculated Property |
| Tc | 1284.13 | K | Joback Calculated Property |
| Tfus | 621.73 | K | Joback Calculated Property |
| Vc | 1.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1319.18; 1394.64] | J/mol×K | [1046.83; 1284.13] |
|
| Cp,gas | 1319.18 | J/mol×K | 1046.83 | Joback Calculated Property |
| Cp,gas | 1335.28 | J/mol×K | 1086.38 | Joback Calculated Property |
| Cp,gas | 1349.85 | J/mol×K | 1125.93 | Joback Calculated Property |
| Cp,gas | 1362.97 | J/mol×K | 1165.48 | Joback Calculated Property |
| Cp,gas | 1374.75 | J/mol×K | 1205.03 | Joback Calculated Property |
| Cp,gas | 1385.27 | J/mol×K | 1244.58 | Joback Calculated Property |
| Cp,gas | 1394.64 | J/mol×K | 1284.13 | Joback Calculated Property |
| η | [0.0000154; 0.0002109] | Pa×s | [621.73; 1046.83] |
|
| η | 0.0002109 | Pa×s | 621.73 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 692.58 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 763.43 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 834.28 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 905.13 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 975.98 | Joback Calculated Property |
| η | 0.0000154 | Pa×s | 1046.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-formylphenyl tridecyl ester.
Sources
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