- InChI
- InChI=1S/C16H14O3/c1-11-7-3-5-9-13(11)15(17)19-16(18)14-10-6-4-8-12(14)2/h3-10H,1-2H3
- InChI Key
- YLBSXJWDERHYFY-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
- Cc1ccccc1C(=O)OC(=O)c1ccccc1C
- Molecular Weight1
- 254.28
- CAS
- 607-86-3
- Other Names
-
- 2-Methylbenzoic acid anhydride
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.6964 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7763.40 ± 7.90 | kJ/mol | NIST |
| ΔfG° | -73.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -533.50 ± 7.90 | kJ/mol | NIST |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.301 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Tboil | 614.43 | K | Relay (1.0) Calculated Property |
| Tc | 882.87 | K | Relay (1.0) Calculated Property |
| Tfus | 327.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.727 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.45; 597.96] | J/mol×K | [758.96; 998.86] | 
|
| Cp,gas | 531.45 | J/mol×K | 758.96 | Joback Calculated Property |
| Cp,gas | 545.35 | J/mol×K | 798.94 | Joback Calculated Property |
| Cp,gas | 558.06 | J/mol×K | 838.93 | Joback Calculated Property |
| Cp,gas | 569.64 | J/mol×K | 878.91 | Joback Calculated Property |
| Cp,gas | 580.13 | J/mol×K | 918.89 | Joback Calculated Property |
| Cp,gas | 589.55 | J/mol×K | 958.87 | Joback Calculated Property |
| Cp,gas | 597.96 | J/mol×K | 998.86 | Joback Calculated Property |
| η | [0.0001235; 0.0008599] | Pa×s | [470.05; 758.96] |
|
| η | 0.0008599 | Pa×s | 470.05 | Joback Calculated Property |
| η | 0.0005355 | Pa×s | 518.20 | Joback Calculated Property |
| η | 0.0003615 | Pa×s | 566.35 | Joback Calculated Property |
| η | 0.0002595 | Pa×s | 614.50 | Joback Calculated Property |
| η | 0.0001955 | Pa×s | 662.66 | Joback Calculated Property |
| η | 0.0001530 | Pa×s | 710.81 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 758.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methyl-, anhydride.
Sources
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