- InChI
- InChI=1S/C17H18O2/c1-4-14-5-7-15(8-6-14)17(18)19-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3
- InChI Key
- ZMOPANMCRAAXCA-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
-
CCc1ccc(C(=O)Oc2cc(C)cc(C)c2)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° | 54.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.13 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.085 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Inp | [2075.00; 2075.00] |
|
|
| Inp | 2075.00 | NIST | |
| Inp | 2075.00 | NIST | |
| Tboil | 732.95 | K | Joback Calculated Property |
| Tc | 963.96 | K | Joback Calculated Property |
| Tfus | 443.91 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.53; 648.76] | J/mol×K | [732.95; 963.96] |
|
| Cp,gas | 569.53 | J/mol×K | 732.95 | Joback Calculated Property |
| Cp,gas | 585.53 | J/mol×K | 771.45 | Joback Calculated Property |
| Cp,gas | 600.37 | J/mol×K | 809.95 | Joback Calculated Property |
| Cp,gas | 614.07 | J/mol×K | 848.46 | Joback Calculated Property |
| Cp,gas | 626.68 | J/mol×K | 886.96 | Joback Calculated Property |
| Cp,gas | 638.23 | J/mol×K | 925.46 | Joback Calculated Property |
| Cp,gas | 648.76 | J/mol×K | 963.96 | Joback Calculated Property |
| η | [0.0001097; 0.0007691] | Pa×s | [443.91; 732.95] |
|
| η | 0.0007691 | Pa×s | 443.91 | Joback Calculated Property |
| η | 0.0004742 | Pa×s | 492.08 | Joback Calculated Property |
| η | 0.0003187 | Pa×s | 540.26 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 588.43 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 636.60 | Joback Calculated Property |
| η | 0.0001354 | Pa×s | 684.78 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 732.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 3,5-dimethylphenyl ester.
Sources
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