- InChI
- InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
- InChI Key
- UCVPKAZCQPRWAY-UHFFFAOYSA-N
- Formula
- C22H18O4
- SMILES
-
O=C(OCc1ccccc1)c1ccccc1C(=O)OC
c1ccccc1 - Molecular Weight1
- 346.38
- CAS
- 523-31-9
- Other Names
-
- 1,2-Benzenedicarboxylic acid, bis(phenylmethyl) ester
- Phthalic acid, dibenzyl ester
- Benzyl phthalate
- Dibenzyl ester of 1,2-benzenedicarboxylic acid
- 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 | 0.8254 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.401 | Crippen Calculated Property | |
| McVol | 264.440 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | 2690.00 | NIST | |
| Tboil | 683.04 | K | Relay (1.0) Calculated Property |
| Tc | 991.85 | K | Relay (1.0) Calculated Property |
| Tfus | 314.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.82; 846.02] | J/mol×K | [940.36; 1190.02] | 
|
| Cp,gas | 793.82 | J/mol×K | 940.36 | Joback Calculated Property |
| Cp,gas | 805.96 | J/mol×K | 981.97 | Joback Calculated Property |
| Cp,gas | 816.62 | J/mol×K | 1023.58 | Joback Calculated Property |
| Cp,gas | 825.88 | J/mol×K | 1065.19 | Joback Calculated Property |
| Cp,gas | 833.81 | J/mol×K | 1106.80 | Joback Calculated Property |
| Cp,gas | 840.50 | J/mol×K | 1148.41 | Joback Calculated Property |
| Cp,gas | 846.02 | J/mol×K | 1190.02 | Joback Calculated Property |
| η | [0.0000438; 0.0003766] | Pa×s | [573.80; 940.36] |
|
| η | 0.0003766 | Pa×s | 573.80 | Joback Calculated Property |
| η | 0.0002214 | Pa×s | 634.89 | Joback Calculated Property |
| η | 0.0001429 | Pa×s | 695.99 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 757.08 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 818.17 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 879.27 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 940.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzyl phthalate.
Sources
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