- InChI
- InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3
- InChI Key
- QNGQIURXCUHNAT-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CC1=CC=CC(C)(C)CC1=O
- Molecular Weight1
- 150.22
- CAS
- 503-93-5
- Other Names
-
- Eucarvone
- 2,6,6-Trimethyl-2,4-cycloheptadien-1-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.2978 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | NIST |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3049.04 | kPa | Joback Calculated Property |
| Inp | [1222.70; 1248.00] |
|
|
| Inp | 1248.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1222.70 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1222.70 | NIST | |
| Tboil | 474.89 | K | Relay (1.0) Calculated Property |
| Tc | 681.45 | K | Relay (1.0) Calculated Property |
| Tfus | 286.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.42; 392.23] | J/mol×K | [523.38; 760.57] |
|
| Cp,gas | 303.42 | J/mol×K | 523.38 | Joback Calculated Property |
| Cp,gas | 320.39 | J/mol×K | 562.91 | Joback Calculated Property |
| Cp,gas | 336.37 | J/mol×K | 602.44 | Joback Calculated Property |
| Cp,gas | 351.45 | J/mol×K | 641.98 | Joback Calculated Property |
| Cp,gas | 365.72 | J/mol×K | 681.51 | Joback Calculated Property |
| Cp,gas | 379.28 | J/mol×K | 721.04 | Joback Calculated Property |
| Cp,gas | 392.23 | J/mol×K | 760.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Cycloheptadien-1-one, 2,6,6-trimethyl-.
Sources
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