- InChI
- InChI=1S/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H
- InChI Key
- SUQGLJRNDJRARS-UHFFFAOYSA-N
- Formula
- C20H14O4
- SMILES
-
O=C(Oc1cccc(OC(=O)c2ccccc2)c1)
c1ccccc1 - Molecular Weight1
- 318.32
- CAS
- 94-01-9
- Other Names
-
- Resorcinol dibenzoate
- 1,3-Dibenzoyloxybenzene
- 1,3-Benzenediol, dibenzoate
- 1,3-Bis(benzoyloxy)benzene
- 3-(Benzoyloxy)phenyl benzoate
- m-phenylene dibenzoate
- Dibenzoyl resorcinol
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | -22.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.92 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 4.125 | Crippen Calculated Property | |
| McVol | 236.260 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| Tboil | 894.60 | K | Joback Calculated Property |
| Tc | 1152.17 | K | Joback Calculated Property |
| Tfus | 551.26 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.56; 731.98] | J/mol×K | [894.60; 1152.17] | 
|
| Cp,gas | 680.56 | J/mol×K | 894.60 | Joback Calculated Property |
| Cp,gas | 692.64 | J/mol×K | 937.53 | Joback Calculated Property |
| Cp,gas | 703.23 | J/mol×K | 980.46 | Joback Calculated Property |
| Cp,gas | 712.38 | J/mol×K | 1023.39 | Joback Calculated Property |
| Cp,gas | 720.18 | J/mol×K | 1066.32 | Joback Calculated Property |
| Cp,gas | 726.69 | J/mol×K | 1109.24 | Joback Calculated Property |
| Cp,gas | 731.98 | J/mol×K | 1152.17 | Joback Calculated Property |
| η | [0.0000577; 0.0004589] | Pa×s | [551.26; 894.60] |
|
| η | 0.0004589 | Pa×s | 551.26 | Joback Calculated Property |
| η | 0.0002761 | Pa×s | 608.48 | Joback Calculated Property |
| η | 0.0001812 | Pa×s | 665.71 | Joback Calculated Property |
| η | 0.0001272 | Pa×s | 722.93 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 780.15 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 837.38 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 894.60 | Joback Calculated Property |
| ΔsubH | 165.80 | kJ/mol | 361.00 | NIST |
| ΔvapH | 76.00 | kJ/mol | 446.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Phenylenedibenzoate.
Sources
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