- 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
- 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).
- 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° | -250.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.31 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -367.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 14.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.29 | kJ/mol | Joback Calculated Property |
| log10WS | -1.61 | Crippen Calculated Property | |
| logPoct/wat | 1.316 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4952.36 | kPa | Joback Calculated Property |
| Tboil | 554.71 | K | Joback Calculated Property |
| Tc | 762.15 | K | Joback Calculated Property |
| Tfus | 328.05 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.80; 258.24] | J/mol×K | [554.71; 762.15] | 
|
| Cp,gas | 214.80 | J/mol×K | 554.71 | Joback Calculated Property |
| Cp,gas | 223.27 | J/mol×K | 589.28 | Joback Calculated Property |
| Cp,gas | 231.24 | J/mol×K | 623.86 | Joback Calculated Property |
| Cp,gas | 238.70 | J/mol×K | 658.43 | Joback Calculated Property |
| Cp,gas | 245.69 | J/mol×K | 693.00 | Joback Calculated Property |
| Cp,gas | 252.19 | J/mol×K | 727.58 | Joback Calculated Property |
| Cp,gas | 258.24 | J/mol×K | 762.15 | Joback Calculated Property |
| η | [0.0001125; 0.0052845] | Pa×s | [328.05; 554.71] |
|
| η | 0.0052845 | Pa×s | 328.05 | Joback Calculated Property |
| η | 0.0019974 | Pa×s | 365.83 | Joback Calculated Property |
| η | 0.0009058 | Pa×s | 403.60 | Joback Calculated Property |
| η | 0.0004703 | Pa×s | 441.38 | Joback Calculated Property |
| η | 0.0002708 | Pa×s | 479.16 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 516.93 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 554.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to perbenzoic acid.
Sources
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