- InChI
- InChI=1S/C27H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)20-17-18-21-27(29)31-25(4)23-24(2)3/h24-25H,5-23H2,1-4H3
- InChI Key
- LEQATHHKYAJIQH-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)
OC(C)CC(C)C - Molecular Weight1
- 440.70
- 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° | -296.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1100.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.23 | kJ/mol | Joback Calculated Property |
| log10WS | -8.72 | Crippen Calculated Property | |
| logPoct/wat | 8.159 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 729.67 | kPa | Joback Calculated Property |
| Inp | [2894.00; 2894.00] |
|
|
| Inp | 2894.00 | NIST | |
| Inp | 2894.00 | NIST | |
| Tboil | 968.86 | K | Joback Calculated Property |
| Tc | 1194.47 | K | Joback Calculated Property |
| Tfus | 508.37 | K | Joback Calculated Property |
| Vc | 1.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1410.37; 1513.86] | J/mol×K | [968.86; 1194.47] |
|
| Cp,gas | 1410.37 | J/mol×K | 968.86 | Joback Calculated Property |
| Cp,gas | 1431.98 | J/mol×K | 1006.46 | Joback Calculated Property |
| Cp,gas | 1451.77 | J/mol×K | 1044.06 | Joback Calculated Property |
| Cp,gas | 1469.79 | J/mol×K | 1081.67 | Joback Calculated Property |
| Cp,gas | 1486.11 | J/mol×K | 1119.27 | Joback Calculated Property |
| Cp,gas | 1500.78 | J/mol×K | 1156.87 | Joback Calculated Property |
| Cp,gas | 1513.86 | J/mol×K | 1194.47 | Joback Calculated Property |
| η | [0.0000153; 0.0004716] | Pa×s | [508.37; 968.86] |
|
| η | 0.0004716 | Pa×s | 508.37 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 585.12 | Joback Calculated Property |
| η | 0.0000886 | Pa×s | 661.87 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 738.62 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 815.36 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 892.11 | Joback Calculated Property |
| η | 0.0000153 | Pa×s | 968.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 4-methylpent-2-yl pentadecyl ester.
Sources
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