- InChI
- InChI=1S/C13H18O/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3
- InChI Key
- JFTSYAALCNQOKO-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CCc1ccc(CC(C)(C)C=O)cc1
- Molecular Weight1
- 190.28
- 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 | 0.5163 | Relay (1.0) Calculated Property | |
| ΔfG° | 64.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.017 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | [1456.80; 1456.80] |
|
|
| Inp | 1456.80 | NIST | |
| Inp | 1456.80 | NIST | |
| Tboil | 538.27 | K | Relay (1.0) Calculated Property |
| Tc | 752.25 | K | Relay (1.0) Calculated Property |
| Tfus | 270.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.626 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.01; 560.69] | 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 | -4.16080e+01 | |||
| Coefficient B | 1.20076e+00 | |||
| Coefficient C | -8.12360e-04 | |||
| Coefficient D | 2.13900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 290.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 344.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 390.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 430.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 465.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 494.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 520.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 541.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 560.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030332; 0.0002336] | Pa×s | [319.63; 551.33] |
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 | -1.18985e+01 | |||
| Coefficient B | 1.94985e+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. | 319.63 | |||
| Temperature range, max. | 551.33 | |||
| η | 0.0030332 | Pa×s | 319.63 | Calculated Property |
| η | 0.0019250 | Pa×s | 345.37 | Calculated Property |
| η | 0.0013012 | Pa×s | 371.12 | Calculated Property |
| η | 0.0009254 | Pa×s | 396.86 | Calculated Property |
| η | 0.0006860 | Pa×s | 422.61 | Calculated Property |
| η | 0.0005264 | Pa×s | 448.35 | Calculated Property |
| η | 0.0004156 | Pa×s | 474.09 | Calculated Property |
| η | 0.0003363 | Pa×s | 499.84 | Calculated Property |
| η | 0.0002778 | Pa×s | 525.58 | Calculated Property |
| η | 0.0002336 | Pa×s | 551.33 | Calculated Property |
Similar Compounds
Find more compounds similar to p-ethyl-«alpha»,«alpha»-dimethyl hydrocinnamic aldehyde.
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