- InChI
- InChI=1S/C25H32O4/c1-6-7-8-11-17-28-23(26)19-14-9-10-15-20(19)24(27)29-22-18(2)13-12-16-21(22)25(3,4)5/h9-10,12-16H,6-8,11,17H2,1-5H3
- InChI Key
- RPIODNAHQRKMFV-UHFFFAOYSA-N
- Formula
- C25H32O4
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)Oc1c(
C)cccc1C(C)(C)C - Molecular Weight1
- 396.52
- 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 | 1.0102 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.249 | Crippen Calculated Property | |
| McVol | 330.470 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | 2733.00 | NIST | |
| Tboil | 674.24 | K | Relay (1.0) Calculated Property |
| Tc | 933.17 | K | Relay (1.0) Calculated Property |
| Tfus | 301.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.216 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1075.14; 1142.76] | J/mol×K | [989.05; 1218.67] | 
|
| Cp,gas | 1075.14 | J/mol×K | 989.05 | Joback Calculated Property |
| Cp,gas | 1089.64 | J/mol×K | 1027.32 | Joback Calculated Property |
| Cp,gas | 1102.75 | J/mol×K | 1065.59 | Joback Calculated Property |
| Cp,gas | 1114.55 | J/mol×K | 1103.86 | Joback Calculated Property |
| Cp,gas | 1125.10 | J/mol×K | 1142.13 | Joback Calculated Property |
| Cp,gas | 1134.48 | J/mol×K | 1180.40 | Joback Calculated Property |
| Cp,gas | 1142.76 | J/mol×K | 1218.67 | Joback Calculated Property |
| η | [0.0000218; 0.0002059] | Pa×s | [608.65; 989.05] |
|
| η | 0.0002059 | Pa×s | 608.65 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 672.05 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 735.45 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 798.85 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 862.25 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 925.65 | Joback Calculated Property |
| η | 0.0000218 | Pa×s | 989.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexyl 2-tert-butyl-6-methylphenyl ester.
Sources
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