- InChI
- InChI=1S/C13H16O/c1-9-7-10(2)12(4)13(8-9)6-5-11(3)14/h5-8H,1-4H3/b6-5-
- InChI Key
- UABKUEYIQHSUFJ-WAYWQWQTSA-N
- Formula
- C13H16O
- SMILES
- CC(=O)C=Cc1cc(C)cc(C)c1C
- Molecular Weight1
- 188.27
- 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).
- I : 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 | 0.5110 | Relay (1.0) Calculated Property | |
| ΔfG° | 93.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.214 | Crippen Calculated Property | |
| McVol | 167.540 | ml/mol | McGowan Calculated Property |
| Pc | 2345.09 | kPa | Joback Calculated Property |
| I | [2290.00; 2290.00] |
|
|
| I | 2290.00 | NIST | |
| I | 2290.00 | NIST | |
| Tboil | 563.59 | K | Relay (1.0) Calculated Property |
| Tc | 770.85 | K | Relay (1.0) Calculated Property |
| Tfus | 336.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.21; 473.62] | J/mol×K | [596.49; 813.26] |
|
| Cp,gas | 396.21 | J/mol×K | 596.49 | Joback Calculated Property |
| Cp,gas | 411.12 | J/mol×K | 632.62 | Joback Calculated Property |
| Cp,gas | 425.17 | J/mol×K | 668.75 | Joback Calculated Property |
| Cp,gas | 438.41 | J/mol×K | 704.87 | Joback Calculated Property |
| Cp,gas | 450.88 | J/mol×K | 741.00 | Joback Calculated Property |
| Cp,gas | 462.60 | J/mol×K | 777.13 | Joback Calculated Property |
| Cp,gas | 473.62 | J/mol×K | 813.26 | Joback Calculated Property |
| η | [0.0001689; 0.0012461] | Pa×s | [345.10; 596.49] |
|
| η | 0.0012461 | Pa×s | 345.10 | Joback Calculated Property |
| η | 0.0007457 | Pa×s | 387.00 | Joback Calculated Property |
| η | 0.0004933 | Pa×s | 428.90 | Joback Calculated Property |
| η | 0.0003513 | Pa×s | 470.80 | Joback Calculated Property |
| η | 0.0002644 | Pa×s | 512.69 | Joback Calculated Property |
| η | 0.0002078 | Pa×s | 554.59 | Joback Calculated Property |
| η | 0.0001689 | Pa×s | 596.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3Z)-4-(2,3,6-trimethylphenyl)-3-buten-2-one.
Sources
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