- InChI
- InChI=1S/C13H10O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9,14H
- InChI Key
- JFAXJRJMFOACBO-UHFFFAOYSA-N
- Formula
- C13H10O3
- SMILES
- O=C(Oc1ccc(O)cc1)c1ccccc1
- Molecular Weight1
- 214.22
- CAS
- 2444-19-1
- Other Names
-
- 1,4-Diphenol, 1-benzoate
- p-hydroxyphenyl benzoate
- 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).
- 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° | -105.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.11 | Crippen Calculated Property | |
| logPoct/wat | 2.611 | Crippen Calculated Property | |
| McVol | 159.820 | ml/mol | McGowan Calculated Property |
| Pc | 3862.67 | kPa | Joback Calculated Property |
| Tboil | 707.11 | K | Joback Calculated Property |
| Tc | 962.79 | K | Joback Calculated Property |
| Tfus | 472.99 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.44; 475.68] | J/mol×K | [707.11; 962.79] | 
|
| Cp,gas | 413.44 | J/mol×K | 707.11 | Joback Calculated Property |
| Cp,gas | 425.94 | J/mol×K | 749.72 | Joback Calculated Property |
| Cp,gas | 437.42 | J/mol×K | 792.34 | Joback Calculated Property |
| Cp,gas | 448.02 | J/mol×K | 834.95 | Joback Calculated Property |
| Cp,gas | 457.84 | J/mol×K | 877.56 | Joback Calculated Property |
| Cp,gas | 467.02 | J/mol×K | 920.18 | Joback Calculated Property |
| Cp,gas | 475.68 | J/mol×K | 962.79 | Joback Calculated Property |
| η | [0.0000147; 0.0003388] | Pa×s | [472.99; 707.11] |
|
| η | 0.0003388 | Pa×s | 472.99 | Joback Calculated Property |
| η | 0.0001645 | Pa×s | 512.01 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 551.03 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 590.05 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 629.07 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 668.09 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 707.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenediol, monobenzoate.
Sources
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