- InChI
- InChI=1S/C31H52O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-27-34-30(32)25-19-20-26-31(33)35-29-24-18-17-23-28(29)22-4-2/h17-18,23-24H,3-16,19-22,25-27H2,1-2H3
- InChI Key
- POIIOYBDXVFVAQ-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O
)Oc1ccccc1CCC - Molecular Weight1
- 488.74
- 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).
- 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 |
|---|---|---|---|
| ω | 1.3786 | Relay (... Calculated Property | |
| ΔfG° | -154.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1062.28 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 75.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.75 | eV | Relay (... Calculated Property |
| log10WS | -8.09 | Relay (... Calculated Property | |
| logPoct/wat | 9.129 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 697.65 | kPa | Joback Calculated Property |
| Inp | 3482.00 | NIST | |
| Tboil | 705.88 | K | Relay (... Calculated Property |
| Tc | 904.11 | K | Relay (... Calculated Property |
| Tfus | 309.63 | K | Relay (... Calculated Property |
| Vc | 1.666 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1560.85; 1645.91] | J/mol×K | [1092.92; 1359.52] | 
|
| Cp,gas | 1560.85 | J/mol×K | 1092.92 | Joback Calculated Property |
| Cp,gas | 1580.35 | J/mol×K | 1137.35 | Joback Calculated Property |
| Cp,gas | 1597.56 | J/mol×K | 1181.79 | Joback Calculated Property |
| Cp,gas | 1612.60 | J/mol×K | 1226.22 | Joback Calculated Property |
| Cp,gas | 1625.59 | J/mol×K | 1270.65 | Joback Calculated Property |
| Cp,gas | 1636.65 | J/mol×K | 1315.09 | Joback Calculated Property |
| Cp,gas | 1645.91 | J/mol×K | 1359.52 | Joback Calculated Property |
| η | [0.0000104; 0.0001601] | Pa×s | [622.39; 1092.92] |
|
| η | 0.0001601 | Pa×s | 622.39 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 700.81 | Joback Calculated Property |
| η | 0.0000447 | Pa×s | 779.23 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 857.66 | Joback Calculated Property |
| η | 0.0000191 | Pa×s | 936.08 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 1014.50 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1092.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexadecyl 2-propylphenyl ester.
Sources
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