- 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
- 318.33
- Other Names
-
- 1,3-Benzenediol, dibenzoate
- 1,3-Bis(benzoyloxy)benzene
- 1,3-Dibenzoyloxybenzene
- 3-(Benzoyloxy)phenyl benzoate
- Dibenzoyl resorcinol
- Resorcinol dibenzoate
- m-phenylene dibenzoate
- 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).
- 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).
- 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).
- 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 | 0.8112 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.125 | Crippen Calculated Property | |
| McVol | 236.260 | ml/mol | McGowan Calculated Property |
| Pc | 2163.33 | kPa | Joback Calculated Property |
| Tboil | 677.16 | K | Relay (1.0) Calculated Property |
| Tc | 991.08 | K | Relay (1.0) Calculated Property |
| Tfus | 390.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 165.80 | kJ/mol | 361.00 | NIST |
| ΔvapH | 76.00 | kJ/mol | 446.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.21; 708.75] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.18900e+01 | |||
| Coefficient B | 1.49800e+00 | |||
| Coefficient C | -9.01560e-04 | |||
| Coefficient D | 1.64200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 293.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 372.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 442.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 503.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 555.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 599.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 636.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 667.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 690.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 708.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030125; 0.0000628] | Pa×s | [390.15; 779.71] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35509e+01 | |||
| Coefficient B | 3.02208e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 390.15 | |||
| Temperature range, max. | 779.71 | |||
| η | 0.0030125 | Pa×s | 390.15 | Calculated Property |
| η | 0.0013899 | Pa×s | 433.43 | Calculated Property |
| η | 0.0007380 | Pa×s | 476.72 | Calculated Property |
| η | 0.0004354 | Pa×s | 520.00 | Calculated Property |
| η | 0.0002786 | Pa×s | 563.29 | Calculated Property |
| η | 0.0001900 | Pa×s | 606.57 | Calculated Property |
| η | 0.0001363 | Pa×s | 649.85 | Calculated Property |
| η | 0.0001020 | Pa×s | 693.14 | Calculated Property |
| η | 0.0000789 | Pa×s | 736.42 | Calculated Property |
| η | 0.0000628 | Pa×s | 779.71 | Calculated Property |
Similar Compounds
Find more compounds similar to RESORCINOL BENZOATE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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