- InChI
- InChI=1S/C33H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-36-31(34)29-23-20-21-24-30(29)32(35)37-27-28(2)26-33(3,4)5/h20-21,23-24,28H,6-19,22,25-27H2,1-5H3
- InChI Key
- BMJSTJWHNVDJKL-UHFFFAOYSA-N
- Formula
- C33H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc
1C(=O)OCC(C)CC(C)(C)C - Molecular Weight1
- 516.80
- 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 | 1.3613 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1124.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.944 | Crippen Calculated Property | |
| McVol | 466.950 | ml/mol | McGowan Calculated Property |
| Pc | 640.60 | kPa | Joback Calculated Property |
| Inp | 3490.00 | NIST | |
| Tboil | 721.91 | K | Relay (1.0) Calculated Property |
| Tc | 921.93 | K | Relay (1.0) Calculated Property |
| Tfus | 291.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.748 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1690.20; 1784.03] | J/mol×K | [1135.01; 1415.49] | 
|
| Cp,gas | 1690.20 | J/mol×K | 1135.01 | Joback Calculated Property |
| Cp,gas | 1710.60 | J/mol×K | 1181.76 | Joback Calculated Property |
| Cp,gas | 1728.82 | J/mol×K | 1228.50 | Joback Calculated Property |
| Cp,gas | 1745.08 | J/mol×K | 1275.25 | Joback Calculated Property |
| Cp,gas | 1759.56 | J/mol×K | 1322.00 | Joback Calculated Property |
| Cp,gas | 1772.48 | J/mol×K | 1368.74 | Joback Calculated Property |
| Cp,gas | 1784.03 | J/mol×K | 1415.49 | Joback Calculated Property |
| η | [0.0000050; 0.0001104] | Pa×s | [632.35; 1135.01] |
|
| η | 0.0001104 | Pa×s | 632.35 | Joback Calculated Property |
| η | 0.0000488 | Pa×s | 716.13 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 799.90 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 883.68 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 967.46 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 1051.23 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 1135.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptadecyl 2,4,4-trimethylpentyl ester.
Sources
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