- 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° | 66.78 | 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 | 749.44 | K | Relay (1.0) Calculated Property |
| Tfus | 277.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.624 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.39; 504.61] | J/mol×K | [573.93; 787.33] |
|
| Cp,gas | 420.39 | J/mol×K | 573.93 | Joback Calculated Property |
| Cp,gas | 436.90 | J/mol×K | 609.50 | Joback Calculated Property |
| Cp,gas | 452.34 | J/mol×K | 645.06 | Joback Calculated Property |
| Cp,gas | 466.78 | J/mol×K | 680.63 | Joback Calculated Property |
| Cp,gas | 480.26 | J/mol×K | 716.20 | Joback Calculated Property |
| Cp,gas | 492.85 | J/mol×K | 751.77 | Joback Calculated Property |
| Cp,gas | 504.61 | J/mol×K | 787.33 | Joback Calculated Property |
| η | [0.0002032; 0.0030332] | Pa×s | [319.63; 573.93] |
|
| η | 0.0030332 | Pa×s | 319.63 | Joback Calculated Property |
| η | 0.0014850 | Pa×s | 362.01 | Joback Calculated Property |
| η | 0.0008444 | Pa×s | 404.40 | Joback Calculated Property |
| η | 0.0005345 | Pa×s | 446.78 | Joback Calculated Property |
| η | 0.0003662 | Pa×s | 489.16 | Joback Calculated Property |
| η | 0.0002665 | Pa×s | 531.55 | Joback Calculated Property |
| η | 0.0002032 | Pa×s | 573.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-ethyl-«alpha»,«alpha»-dimethyl hydrocinnamic aldehyde.
Sources
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