- InChI
- InChI=1S/C17H18O2/c1-3-7-14-9-4-5-11-16(14)19-17(18)15-10-6-8-13(2)12-15/h4-6,8-12H,3,7H2,1-2H3
- InChI Key
- YJYBGNAZUPRTES-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
- CCCc1ccccc1OC(=O)c1cccc(C)c1
- Molecular Weight1
- 254.32
- 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° | 63.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 4.167 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2119.73 | kPa | Joback Calculated Property |
| Inp | [2021.00; 2021.00] |
|
|
| Inp | 2021.00 | NIST | |
| Inp | 2021.00 | NIST | |
| Tboil | 727.97 | K | Joback Calculated Property |
| Tc | 958.19 | K | Joback Calculated Property |
| Tfus | 431.39 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.46; 650.30] | J/mol×K | [727.97; 958.19] |
|
| Cp,gas | 570.46 | J/mol×K | 727.97 | Joback Calculated Property |
| Cp,gas | 586.59 | J/mol×K | 766.34 | Joback Calculated Property |
| Cp,gas | 601.54 | J/mol×K | 804.71 | Joback Calculated Property |
| Cp,gas | 615.34 | J/mol×K | 843.08 | Joback Calculated Property |
| Cp,gas | 628.04 | J/mol×K | 881.45 | Joback Calculated Property |
| Cp,gas | 639.67 | J/mol×K | 919.82 | Joback Calculated Property |
| Cp,gas | 650.30 | J/mol×K | 958.19 | Joback Calculated Property |
| η | [0.0001093; 0.0009099] | Pa×s | [431.39; 727.97] |
|
| η | 0.0009099 | Pa×s | 431.39 | Joback Calculated Property |
| η | 0.0005331 | Pa×s | 480.82 | Joback Calculated Property |
| η | 0.0003450 | Pa×s | 530.25 | Joback Calculated Property |
| η | 0.0002405 | Pa×s | 579.68 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 629.11 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 678.54 | Joback Calculated Property |
| η | 0.0001093 | Pa×s | 727.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-, 2-propylphenyl ester.
Sources
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