- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7215 | Relay (1.0) Calculated Property | |
| ΔfG° | -22.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.085 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [2075.00; 2075.00] |
|
|
| Inp | 2075.00 | NIST | |
| Inp | 2075.00 | NIST | |
| Tboil | 614.85 | K | Relay (1.0) Calculated Property |
| Tc | 862.25 | K | Relay (1.0) Calculated Property |
| Tfus | 303.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.779 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.59; 658.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.20690e+01 | |||
| Coefficient B | 1.22776e+00 | |||
| Coefficient C | -6.67680e-04 | |||
| Coefficient D | 1.10300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 275.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 343.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 404.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 458.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 505.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 547.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 582.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 612.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 638.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 658.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009185; 0.0001246] | Pa×s | [414.08; 661.13] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23394e+01 | |||
| Coefficient B | 2.21394e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 414.08 | |||
| Temperature range, max. | 661.13 | |||
| η | 0.0009185 | Pa×s | 414.08 | Calculated Property |
| η | 0.0006588 | Pa×s | 441.53 | Calculated Property |
| η | 0.0004912 | Pa×s | 468.98 | Calculated Property |
| η | 0.0003784 | Pa×s | 496.43 | Calculated Property |
| η | 0.0002995 | Pa×s | 523.88 | Calculated Property |
| η | 0.0002427 | Pa×s | 551.33 | Calculated Property |
| η | 0.0002006 | Pa×s | 578.78 | Calculated Property |
| η | 0.0001687 | Pa×s | 606.23 | Calculated Property |
| η | 0.0001440 | Pa×s | 633.68 | Calculated Property |
| η | 0.0001246 | Pa×s | 661.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 3,5-dimethylphenyl ester.
Sources
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