- InChI
- InChI=1S/C27H44O4/c1-6-9-10-11-12-13-14-15-16-17-21-30-25(28)27(7-2,8-3)26(29)31-24-20-18-19-22(4)23(24)5/h18-20H,6-17,21H2,1-5H3
- InChI Key
- PGBOPQDIQHZDSI-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1cccc(C)c1C - Molecular Weight1
- 432.64
- 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° | -195.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -885.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.31 | kJ/mol | Joback Calculated Property |
| log10WS | -8.47 | Crippen Calculated Property | |
| logPoct/wat | 7.479 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 866.07 | kPa | Joback Calculated Property |
| Inp | [2903.00; 2903.00] |
|
|
| Inp | 2903.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Tboil | 1003.15 | K | Joback Calculated Property |
| Tc | 1228.60 | K | Joback Calculated Property |
| Tfus | 592.25 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1305.74; 1390.69] | J/mol×K | [1003.15; 1228.60] |
|
| Cp,gas | 1305.74 | J/mol×K | 1003.15 | Joback Calculated Property |
| Cp,gas | 1323.44 | J/mol×K | 1040.72 | Joback Calculated Property |
| Cp,gas | 1339.62 | J/mol×K | 1078.30 | Joback Calculated Property |
| Cp,gas | 1354.37 | J/mol×K | 1115.87 | Joback Calculated Property |
| Cp,gas | 1367.74 | J/mol×K | 1153.45 | Joback Calculated Property |
| Cp,gas | 1379.83 | J/mol×K | 1191.02 | Joback Calculated Property |
| Cp,gas | 1390.69 | J/mol×K | 1228.60 | Joback Calculated Property |
| η | [0.0000151; 0.0002036] | Pa×s | [592.25; 1003.15] |
|
| η | 0.0002036 | Pa×s | 592.25 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 660.73 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 729.22 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 797.70 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 866.18 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 934.67 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 1003.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl dodecyl ester.
Sources
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