- InChI
- InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
- InChI Key
- CINHWMYRCOGYIX-UHFFFAOYSA-N
- Formula
- C19H14O2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc
cc1 - Molecular Weight1
- 274.32
- 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 | 0.6676 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.573 | Crippen Calculated Property | |
| McVol | 214.730 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | [2551.00; 2551.00] |
|
|
| Inp | 2551.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Tboil | 669.70 | K | Relay (1.0) Calculated Property |
| Tc | 967.59 | K | Relay (1.0) Calculated Property |
| Tfus | 392.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.66; 649.05] | 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 | -7.63900e+01 | |||
| Coefficient B | 1.45780e+00 | |||
| Coefficient C | -9.41760e-04 | |||
| Coefficient D | 2.09400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 255.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 330.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 453.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 502.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 543.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 578.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 607.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 630.54 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 649.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009695; 0.0000965] | Pa×s | [438.00; 727.71] |
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 | -1.27337e+01 | |||
| Coefficient B | 2.53820e+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. | 438.00 | |||
| Temperature range, max. | 727.71 | |||
| η | 0.0009695 | Pa×s | 438.00 | Calculated Property |
| η | 0.0006520 | Pa×s | 470.19 | Calculated Property |
| η | 0.0004613 | Pa×s | 502.38 | Calculated Property |
| η | 0.0003403 | Pa×s | 534.57 | Calculated Property |
| η | 0.0002599 | Pa×s | 566.76 | Calculated Property |
| η | 0.0002043 | Pa×s | 598.95 | Calculated Property |
| η | 0.0001646 | Pa×s | 631.14 | Calculated Property |
| η | 0.0001354 | Pa×s | 663.33 | Calculated Property |
| η | 0.0001134 | Pa×s | 695.52 | Calculated Property |
| η | 0.0000965 | Pa×s | 727.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-biphenyl ester.
Sources
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