- InChI
- InChI=1S/C30H42O4/c1-5-23(6-2)21-33-29(31)27(25-15-11-9-12-16-25)19-20-28(26-17-13-10-14-18-26)30(32)34-22-24(7-3)8-4/h9-18,23-24,27-28H,5-8,19-22H2,1-4H3
- InChI Key
- JYJRMRSDLBQCKK-UHFFFAOYSA-N
- Formula
- C30H42O4
- SMILES
-
CCC(CC)COC(=O)C(CCC(C(=O)OCC(C
C)CC)c1ccccc1)c1ccccc1 - Molecular Weight1
- 466.65
- CAS
- 116435-61-1
- 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).
- 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 | 0.9941 | Relay (1.0) Calculated Property | |
| ΔfG° | -51.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.293 | Crippen Calculated Property | |
| McVol | 400.920 | ml/mol | McGowan Calculated Property |
| Pc | 911.63 | kPa | Joback Calculated Property |
| Tboil | 718.27 | K | Relay (1.0) Calculated Property |
| Tc | 961.38 | K | Relay (1.0) Calculated Property |
| Tfus | 310.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1386.50; 1451.67] | J/mol×K | [1089.98; 1334.64] | 
|
| Cp,gas | 1386.50 | J/mol×K | 1089.98 | Joback Calculated Property |
| Cp,gas | 1401.30 | J/mol×K | 1130.76 | Joback Calculated Property |
| Cp,gas | 1414.39 | J/mol×K | 1171.53 | Joback Calculated Property |
| Cp,gas | 1425.86 | J/mol×K | 1212.31 | Joback Calculated Property |
| Cp,gas | 1435.82 | J/mol×K | 1253.08 | Joback Calculated Property |
| Cp,gas | 1444.39 | J/mol×K | 1293.86 | Joback Calculated Property |
| Cp,gas | 1451.67 | J/mol×K | 1334.64 | Joback Calculated Property |
| η | [0.0000084; 0.0002731] | Pa×s | [565.02; 1089.98] |
|
| η | 0.0002731 | Pa×s | 565.02 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 652.51 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 740.01 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 827.50 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 914.99 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 1002.49 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 1089.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Di-(2-ethylbutyl)-2,5-diphenyl adipate.
Sources
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