- InChI
- InChI=1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
- InChI Key
- BJMLLSSSTGHJJE-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
-
Cc1ccc(C(=O)OC(=O)c2ccc(C)cc2)
cc1 - Molecular Weight1
- 254.29
- 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 | 0.7127 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7776.00 ± 7.90 | kJ/mol | NIST |
| ΔfG° | -149.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -521.00 ± 7.90 | kJ/mol | NIST |
| ΔfusH° | 30.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.301 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Tboil | 629.84 | K | Relay (1.0) Calculated Property |
| Tc | 875.26 | K | Relay (1.0) Calculated Property |
| Tfus | 358.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.84; 594.88] | J/mol×K | [741.09; 979.52] | 
|
| Cp,gas | 527.84 | J/mol×K | 741.09 | Joback Calculated Property |
| Cp,gas | 541.98 | J/mol×K | 780.83 | Joback Calculated Property |
| Cp,gas | 554.88 | J/mol×K | 820.57 | Joback Calculated Property |
| Cp,gas | 566.57 | J/mol×K | 860.30 | Joback Calculated Property |
| Cp,gas | 577.11 | J/mol×K | 900.04 | Joback Calculated Property |
| Cp,gas | 586.53 | J/mol×K | 939.78 | Joback Calculated Property |
| Cp,gas | 594.88 | J/mol×K | 979.52 | Joback Calculated Property |
| η | [0.0001090; 0.0010133] | Pa×s | [440.22; 741.09] |
|
| η | 0.0010133 | Pa×s | 440.22 | Joback Calculated Property |
| η | 0.0005779 | Pa×s | 490.37 | Joback Calculated Property |
| η | 0.0003658 | Pa×s | 540.51 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 590.65 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 640.80 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 690.94 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 741.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-DIMETHYLBENZOIC ANHYDRIDE.
Sources
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