- InChI
- InChI=1S/C16H16O2/c1-12(2)14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-12H,1-2H3
- InChI Key
- HRHFLGLKSCJDDM-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CC(C)c1ccccc1OC(=O)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° | 62.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 4.029 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Inp | [1869.00; 1869.00] |
|
|
| Inp | 1869.00 | NIST | |
| Inp | 1869.00 | NIST | |
| Tboil | 699.67 | K | Joback Calculated Property |
| Tc | 938.10 | K | Joback Calculated Property |
| Tfus | 392.60 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.51; 598.40] | J/mol×K | [699.67; 938.10] |
|
| Cp,gas | 518.51 | J/mol×K | 699.67 | Joback Calculated Property |
| Cp,gas | 534.83 | J/mol×K | 739.41 | Joback Calculated Property |
| Cp,gas | 549.87 | J/mol×K | 779.15 | Joback Calculated Property |
| Cp,gas | 563.70 | J/mol×K | 818.89 | Joback Calculated Property |
| Cp,gas | 576.36 | J/mol×K | 858.62 | Joback Calculated Property |
| Cp,gas | 587.91 | J/mol×K | 898.36 | Joback Calculated Property |
| Cp,gas | 598.40 | J/mol×K | 938.10 | Joback Calculated Property |
| η | [0.0001128; 0.0013783] | Pa×s | [392.60; 699.67] |
|
| η | 0.0013783 | Pa×s | 392.60 | Joback Calculated Property |
| η | 0.0007141 | Pa×s | 443.78 | Joback Calculated Property |
| η | 0.0004239 | Pa×s | 494.96 | Joback Calculated Property |
| η | 0.0002774 | Pa×s | 546.13 | Joback Calculated Property |
| η | 0.0001953 | Pa×s | 597.31 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 648.49 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 699.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-isopropylphenyl ester.
Sources
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