- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.24; 257.71] | J/mol×K | [536.84; 741.72] | 
|
| Cp,gas | 213.24 | J/mol×K | 536.84 | Joback Calculated Property |
| Cp,gas | 222.00 | J/mol×K | 570.99 | Joback Calculated Property |
| Cp,gas | 230.20 | J/mol×K | 605.13 | Joback Calculated Property |
| Cp,gas | 237.86 | J/mol×K | 639.28 | Joback Calculated Property |
| Cp,gas | 244.99 | J/mol×K | 673.42 | Joback Calculated Property |
| Cp,gas | 251.60 | J/mol×K | 707.57 | Joback Calculated Property |
| Cp,gas | 257.71 | J/mol×K | 741.72 | Joback Calculated Property |
| η | [0.0001120; 0.0115781] | Pa×s | [298.22; 536.84] |
|
| η | 0.0115781 | Pa×s | 298.22 | Joback Calculated Property |
| η | 0.0033910 | Pa×s | 337.99 | Joback Calculated Property |
| η | 0.0012862 | Pa×s | 377.76 | Joback Calculated Property |
| η | 0.0005868 | Pa×s | 417.53 | Joback Calculated Property |
| η | 0.0003069 | Pa×s | 457.30 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 497.07 | Joback Calculated Property |
| η | 0.0001120 | Pa×s | 536.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to perbenzoic acid.
Sources
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