- InChI
- InChI=1S/C20H24O2/c1-3-5-9-16-12-14-18(15-13-16)20(21)22-19-11-7-6-10-17(19)8-4-2/h6-7,10-15H,3-5,8-9H2,1-2H3
- InChI Key
- FUHJNUGUFXFGCO-UHFFFAOYSA-N
- Formula
- C20H24O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccccc2CCC)cc
1 - Molecular Weight1
- 296.41
- 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 | 0.8371 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.201 | Crippen Calculated Property | |
| McVol | 252.580 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| Inp | [2391.00; 2391.00] |
|
|
| Inp | 2391.00 | NIST | |
| Inp | 2391.00 | NIST | |
| Tboil | 644.43 | K | Relay (1.0) Calculated Property |
| Tc | 875.51 | K | Relay (1.0) Calculated Property |
| Tfus | 282.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.68; 816.12] | 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 | -2.90950e+01 | |||
| Coefficient B | 1.57224e+00 | |||
| Coefficient C | -8.97920e-04 | |||
| Coefficient D | 1.70900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 336.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 422.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 498.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 566.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 676.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 721.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 758.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 790.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 816.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008889; 0.0000984] | Pa×s | [435.37; 697.86] |
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 | -1.28773e+01 | |||
| Coefficient B | 2.54768e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 435.37 | |||
| Temperature range, max. | 697.86 | |||
| η | 0.0008889 | Pa×s | 435.37 | Calculated Property |
| η | 0.0006156 | Pa×s | 464.54 | Calculated Property |
| η | 0.0004452 | Pa×s | 493.70 | Calculated Property |
| η | 0.0003339 | Pa×s | 522.87 | Calculated Property |
| η | 0.0002581 | Pa×s | 552.03 | Calculated Property |
| η | 0.0002047 | Pa×s | 581.20 | Calculated Property |
| η | 0.0001660 | Pa×s | 610.37 | Calculated Property |
| η | 0.0001373 | Pa×s | 639.53 | Calculated Property |
| η | 0.0001154 | Pa×s | 668.70 | Calculated Property |
| η | 0.0000984 | Pa×s | 697.86 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-propylphenyl ester.
Sources
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