- InChI
- InChI=1S/C25H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-29-24(27)19-16-17-20-25(28)30-23(3)22(2)26/h23H,4-21H2,1-3H3
- InChI Key
- JVCRAOBKQFLMFC-UHFFFAOYSA-N
- Formula
- C25H46O5
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)
OC(C)C(C)=O - Molecular Weight1
- 426.63
- 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° | -439.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1166.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.91 | kJ/mol | Joback Calculated Property |
| log10WS | -7.40 | Crippen Calculated Property | |
| logPoct/wat | 6.702 | Crippen Calculated Property | |
| McVol | 379.560 | ml/mol | McGowan Calculated Property |
| Pc | 837.73 | kPa | Joback Calculated Property |
| Inp | [2929.00; 2929.00] |
|
|
| Inp | 2929.00 | NIST | |
| Inp | 2929.00 | NIST | |
| Tboil | 977.41 | K | Joback Calculated Property |
| Tc | 1202.65 | K | Joback Calculated Property |
| Tfus | 550.76 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1302.11; 1390.84] | J/mol×K | [977.41; 1202.65] |
|
| Cp,gas | 1302.11 | J/mol×K | 977.41 | Joback Calculated Property |
| Cp,gas | 1321.02 | J/mol×K | 1014.95 | Joback Calculated Property |
| Cp,gas | 1338.22 | J/mol×K | 1052.49 | Joback Calculated Property |
| Cp,gas | 1353.76 | J/mol×K | 1090.03 | Joback Calculated Property |
| Cp,gas | 1367.67 | J/mol×K | 1127.57 | Joback Calculated Property |
| Cp,gas | 1380.02 | J/mol×K | 1165.11 | Joback Calculated Property |
| Cp,gas | 1390.84 | J/mol×K | 1202.65 | Joback Calculated Property |
| η | [0.0000214; 0.0003979] | Pa×s | [550.76; 977.41] |
|
| η | 0.0003979 | Pa×s | 550.76 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 621.87 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 692.98 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 764.09 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 835.19 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 906.30 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 977.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-oxobut-2-yl pentadecyl ester.
Sources
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