- InChI
- InChI=1S/C29H32O5/c1-2-3-4-5-6-12-20-32-28(30)26-18-10-11-19-27(26)29(31)33-22-23-14-13-17-25(21-23)34-24-15-8-7-9-16-24/h7-11,13-19,21H,2-6,12,20,22H2,1H3
- InChI Key
- KIOWZXIIYHIMSG-UHFFFAOYSA-N
- Formula
- C29H32O5
- SMILES
-
CCCCCCCCOC(=O)c1ccccc1C(=O)OCc
1cccc(Oc2ccccc2)c1 - Molecular Weight1
- 460.56
- 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° | -61.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.02 | kJ/mol | Joback Calculated Property |
| log10WS | -8.63 | Crippen Calculated Property | |
| logPoct/wat | 7.353 | Crippen Calculated Property | |
| McVol | 368.940 | ml/mol | McGowan Calculated Property |
| Pc | 1138.27 | kPa | Joback Calculated Property |
| Inp | 3501.00 | NIST | |
| Tboil | 1127.92 | K | Joback Calculated Property |
| Tc | 1381.16 | K | Joback Calculated Property |
| Tfus | 687.44 | K | Joback Calculated Property |
| Vc | 1.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1229.70; 1263.56] | J/mol×K | [1127.92; 1381.16] | 
|
| Cp,gas | 1229.70 | J/mol×K | 1127.92 | Joback Calculated Property |
| Cp,gas | 1239.69 | J/mol×K | 1170.13 | Joback Calculated Property |
| Cp,gas | 1247.83 | J/mol×K | 1212.33 | Joback Calculated Property |
| Cp,gas | 1254.21 | J/mol×K | 1254.54 | Joback Calculated Property |
| Cp,gas | 1258.90 | J/mol×K | 1296.75 | Joback Calculated Property |
| Cp,gas | 1262.00 | J/mol×K | 1338.96 | Joback Calculated Property |
| Cp,gas | 1263.56 | J/mol×K | 1381.16 | Joback Calculated Property |
| η | [0.0000118; 0.0001078] | Pa×s | [687.44; 1127.92] |
|
| η | 0.0001078 | Pa×s | 687.44 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 760.85 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 834.27 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 907.68 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 981.09 | Joback Calculated Property |
| η | 0.0000150 | Pa×s | 1054.51 | Joback Calculated Property |
| η | 0.0000118 | Pa×s | 1127.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octyl 3-phenoxybenzyl ester.
Sources
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