- InChI
- InChI=1S/C14H12O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key
- XYKFCIJKMCQULO-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- Cc1cccc(OC(=O)c2ccccc2)c1
- Molecular Weight1
- 212.24
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 48.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.214 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [1811.00; 1811.00] |
|
|
| Inp | 1811.00 | NIST | |
| Inp | 1811.00 | NIST | |
| Tboil | 654.35 | K | Joback Calculated Property |
| Tc | 898.02 | K | Joback Calculated Property |
| Tfus | 385.06 | K | Joback Calculated Property |
| Vc | 0.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.01; 488.82] | J/mol×K | [654.35; 898.02] |
|
| Cp,gas | 415.01 | J/mol×K | 654.35 | Joback Calculated Property |
| Cp,gas | 430.11 | J/mol×K | 694.96 | Joback Calculated Property |
| Cp,gas | 444.02 | J/mol×K | 735.57 | Joback Calculated Property |
| Cp,gas | 456.81 | J/mol×K | 776.19 | Joback Calculated Property |
| Cp,gas | 468.50 | J/mol×K | 816.80 | Joback Calculated Property |
| Cp,gas | 479.16 | J/mol×K | 857.41 | Joback Calculated Property |
| Cp,gas | 488.82 | J/mol×K | 898.02 | Joback Calculated Property |
| η | [0.0001499; 0.0012880] | Pa×s | [385.06; 654.35] |
|
| η | 0.0012880 | Pa×s | 385.06 | Joback Calculated Property |
| η | 0.0007464 | Pa×s | 429.94 | Joback Calculated Property |
| η | 0.0004795 | Pa×s | 474.82 | Joback Calculated Property |
| η | 0.0003325 | Pa×s | 519.71 | Joback Calculated Property |
| η | 0.0002444 | Pa×s | 564.59 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 609.47 | Joback Calculated Property |
| η | 0.0001499 | Pa×s | 654.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methylphenyl ester.
Sources
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