- InChI
- InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H
- InChI Key
- CHIHQLCVLOXUJW-UHFFFAOYSA-N
- Formula
- C14H10O3
- SMILES
- O=C(OC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 226.23
- CAS
- 93-97-0
- Other Names
-
- Benzoic anhydride
- Benzoyl anhydride
- Benzoyl benzoate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6313 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-6523.00; -6507.40] | kJ/mol |
|
| ΔcH°solid | -6523.00 ± 2.00 | kJ/mol | NIST |
| ΔcH°solid | -6507.40 ± 6.70 | kJ/mol | NIST |
| ΔfG° | -147.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.00 ± 4.60 | kJ/mol | NIST |
| ΔfH°solid | [-430.90; -415.00] | kJ/mol |
|
| ΔfH°solid | -415.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°solid | -430.90 ± 6.70 | kJ/mol | NIST |
| ΔfusH° | 26.07 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [96.20; 96.20] | kJ/mol |
|
| ΔsubH° | 96.20 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 96.20 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 96.20 ± 4.20 | kJ/mol | NIST |
| ΔsubH° | 96.20 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 84.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.684 | Crippen Calculated Property | |
| McVol | 169.610 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [1953.40; 1953.40] |
|
|
| Inp | 1953.40 | NIST | |
| Inp | 1953.40 | NIST | |
| Tboil | [633.00; 633.20] | K |
|
| Tboil | 633.20 | K | NIST |
| Tboil | 633.00 | K | NIST |
| Tboil | 633.20 ± 3.00 | K | NIST |
| Tc | 867.09 | K | Relay (1.0) Calculated Property |
| Tfus | [315.00; 316.30] | K |
|
| Tfus | 315.00 | K | NIST |
| Tfus | 316.30 ± 1.00 | K | NIST |
| Tfus | 315.00 ± 2.00 | K | NIST |
| Tfus | 315.00 ± 2.00 | K | NIST |
| Vc | 0.628 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.86; 490.93] | J/mol×K | [685.37; 932.32] |
|
| Cp,gas | 426.86 | J/mol×K | 685.37 | Joback Calculated Property |
| Cp,gas | 440.57 | J/mol×K | 726.53 | Joback Calculated Property |
| Cp,gas | 452.99 | J/mol×K | 767.69 | Joback Calculated Property |
| Cp,gas | 464.18 | J/mol×K | 808.84 | Joback Calculated Property |
| Cp,gas | 474.19 | J/mol×K | 850.00 | Joback Calculated Property |
| Cp,gas | 483.09 | J/mol×K | 891.16 | Joback Calculated Property |
| Cp,gas | 490.93 | J/mol×K | 932.32 | Joback Calculated Property |
| η | [0.0001377; 0.0017387] | Pa×s | [392.64; 685.37] |
|
| η | 0.0017387 | Pa×s | 392.64 | Joback Calculated Property |
| η | 0.0009020 | Pa×s | 441.43 | Joback Calculated Property |
| η | 0.0005332 | Pa×s | 490.22 | Joback Calculated Property |
| η | 0.0003467 | Pa×s | 539.00 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 587.79 | Joback Calculated Property |
| η | 0.0001787 | Pa×s | 636.58 | Joback Calculated Property |
| η | 0.0001377 | Pa×s | 685.37 | Joback Calculated Property |
| ΔfusH | [17.15; 17.15] | kJ/mol | [313.20; 313.20] |
|
| ΔfusH | 17.15 | kJ/mol | 313.20 | NIST |
| ΔfusH | 17.15 | kJ/mol | 313.20 | NIST |
| ΔfusH | 17.15 | kJ/mol | 313.20 | NIST |
| ΔvapH | 69.10 | kJ/mol | 524.50 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, anhydride.
Sources
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