- InChI
- InChI=1S/C16H16O2/c1-12(2)13-8-10-15(11-9-13)18-16(17)14-6-4-3-5-7-14/h3-12H,1-2H3
- InChI Key
- KPVUCQCHICRYHH-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CC(C)c1ccc(OC(=O)c2ccccc2)cc1
- Molecular Weight1
- 240.30
- ω : Acentric Factor.
- 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).
- 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 | 0.6363 | Relay (1.0) Calculated Property | |
| ΔfG° | -13.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.029 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Tboil | 597.95 | K | Relay (1.0) Calculated Property |
| Tc | 852.38 | K | Relay (1.0) Calculated Property |
| Tfus | 311.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.93; 594.97] | J/mol×K | [681.80; 918.59] | 
|
| Cp,gas | 513.93 | J/mol×K | 681.80 | Joback Calculated Property |
| Cp,gas | 530.61 | J/mol×K | 721.27 | Joback Calculated Property |
| Cp,gas | 545.95 | J/mol×K | 760.73 | Joback Calculated Property |
| Cp,gas | 560.00 | J/mol×K | 800.20 | Joback Calculated Property |
| Cp,gas | 572.82 | J/mol×K | 839.66 | Joback Calculated Property |
| Cp,gas | 584.46 | J/mol×K | 879.13 | Joback Calculated Property |
| Cp,gas | 594.97 | J/mol×K | 918.59 | Joback Calculated Property |
| η | [0.0001006; 0.0018567] | Pa×s | [362.77; 681.80] |
|
| η | 0.0018567 | Pa×s | 362.77 | Joback Calculated Property |
| η | 0.0008373 | Pa×s | 415.94 | Joback Calculated Property |
| η | 0.0004523 | Pa×s | 469.11 | Joback Calculated Property |
| η | 0.0002769 | Pa×s | 522.28 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 575.46 | Joback Calculated Property |
| η | 0.0001332 | Pa×s | 628.63 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 681.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-isopropyl phenyl ester.
Sources
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