- InChI
- InChI=1S/C16H16O2/c1-2-15(13-9-5-3-6-10-13)18-16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
- InChI Key
- XCHIHJDABCLLEG-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CCC(OC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 240.30
- 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° | 72.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.995 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2407.64 | kPa | Joback Calculated Property |
| Inp | 1893.00 | NIST | |
| Tboil | 694.69 | K | Joback Calculated Property |
| Tc | 932.29 | K | Joback Calculated Property |
| Tfus | 380.08 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.39; 599.99] | J/mol×K | [694.69; 932.29] | 
|
| Cp,gas | 519.39 | J/mol×K | 694.69 | Joback Calculated Property |
| Cp,gas | 535.89 | J/mol×K | 734.29 | Joback Calculated Property |
| Cp,gas | 551.08 | J/mol×K | 773.89 | Joback Calculated Property |
| Cp,gas | 565.02 | J/mol×K | 813.49 | Joback Calculated Property |
| Cp,gas | 577.78 | J/mol×K | 853.09 | Joback Calculated Property |
| Cp,gas | 589.42 | J/mol×K | 892.69 | Joback Calculated Property |
| Cp,gas | 599.99 | J/mol×K | 932.29 | Joback Calculated Property |
| η | [0.0001132; 0.0017325] | Pa×s | [380.08; 694.69] |
|
| η | 0.0017325 | Pa×s | 380.08 | Joback Calculated Property |
| η | 0.0008345 | Pa×s | 432.52 | Joback Calculated Property |
| η | 0.0004708 | Pa×s | 484.95 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 537.38 | Joback Calculated Property |
| η | 0.0002033 | Pa×s | 589.82 | Joback Calculated Property |
| η | 0.0001481 | Pa×s | 642.26 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 694.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 1-phenylpropyl ester.
Sources
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