- InChI
- InChI=1S/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H
- InChI Key
- XCRBXWCUXJNEFX-UHFFFAOYSA-N
- Formula
- C7H6O3
- SMILES
- O=C(OO)c1ccccc1
- Molecular Weight1
- 138.12
- CAS
- 93-59-4
- 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).
- ΔfH°solid : Solid phase 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).
- 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 | 0.6388 | Relay (1.0) Calculated Property | |
| ΔfG° | -326.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -367.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 16.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.316 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4678.49 | kPa | Joback Calculated Property |
| Tboil | 495.87 | K | Relay (1.0) Calculated Property |
| Tc | 746.68 | K | Relay (1.0) Calculated Property |
| Tfus | 319.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.350 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.56; 288.72] | 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 | -6.68000e+00 | |||
| Coefficient B | 5.69100e-01 | |||
| Coefficient C | -3.24000e-04 | |||
| Coefficient D | 5.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 183.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 207.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 228.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 245.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 281.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 288.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0115781; 0.0001363] | Pa×s | [298.22; 519.20] |
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 | -1.48949e+01 | |||
| Coefficient B | 3.11229e+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. | 298.22 | |||
| Temperature range, max. | 519.20 | |||
| η | 0.0115781 | Pa×s | 298.22 | Calculated Property |
| η | 0.0052343 | Pa×s | 322.77 | Calculated Property |
| η | 0.0026474 | Pa×s | 347.33 | Calculated Property |
| η | 0.0014651 | Pa×s | 371.88 | Calculated Property |
| η | 0.0008725 | Pa×s | 396.43 | Calculated Property |
| η | 0.0005520 | Pa×s | 420.99 | Calculated Property |
| η | 0.0003673 | Pa×s | 445.54 | Calculated Property |
| η | 0.0002550 | Pa×s | 470.09 | Calculated Property |
| η | 0.0001836 | Pa×s | 494.65 | Calculated Property |
| η | 0.0001363 | Pa×s | 519.20 | Calculated Property |
Similar Compounds
Find more compounds similar to perbenzoic acid.
Sources
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