- InChI
- InChI=1S/C32H54O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h21-22,24-25,27,30H,5-20,23,26H2,1-4H3
- InChI Key
- ZGKJCAYADSVUJQ-UHFFFAOYSA-N
- Formula
- C32H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1C(=O)OC(CC)C(C)C - Molecular Weight1
- 502.77
- 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 | 1.3600 | Relay (1.0) Calculated Property | |
| ΔfG° | -151.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1089.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.696 | Crippen Calculated Property | |
| McVol | 452.860 | ml/mol | McGowan Calculated Property |
| Pc | 669.08 | kPa | Joback Calculated Property |
| Inp | 3464.00 | NIST | |
| Tboil | 711.55 | K | Relay (1.0) Calculated Property |
| Tc | 914.04 | K | Relay (1.0) Calculated Property |
| Tfus | 293.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.696 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1625.17; 1707.08] | J/mol×K | [1114.92; 1388.61] | 
|
| Cp,gas | 1625.17 | J/mol×K | 1114.92 | Joback Calculated Property |
| Cp,gas | 1644.48 | J/mol×K | 1160.53 | Joback Calculated Property |
| Cp,gas | 1661.34 | J/mol×K | 1206.15 | Joback Calculated Property |
| Cp,gas | 1675.89 | J/mol×K | 1251.76 | Joback Calculated Property |
| Cp,gas | 1688.27 | J/mol×K | 1297.38 | Joback Calculated Property |
| Cp,gas | 1698.62 | J/mol×K | 1342.99 | Joback Calculated Property |
| Cp,gas | 1707.08 | J/mol×K | 1388.61 | Joback Calculated Property |
| η | [0.0000073; 0.0001665] | Pa×s | [603.66; 1114.92] |
|
| η | 0.0001665 | Pa×s | 603.66 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 688.87 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 774.08 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 859.29 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 944.50 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 1029.71 | Joback Calculated Property |
| η | 0.0000073 | Pa×s | 1114.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-methylpent-3-yl octadecyl ester.
Sources
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