- InChI
- InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1
- InChI Key
- YSTPAHQEHQSRJD-SECBINFHSA-N
- Formula
- C10H16O
- SMILES
- CC1=CC(=O)C(C(C)C)CC1
- Molecular Weight1
- 152.23
- CAS
- 6091-50-5
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3537 | Relay (... Calculated Property | |
| ΔfG° | -46.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.06 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -2.11 | Relay (... Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 138.170 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Tboil | 481.71 | K | Relay (... Calculated Property |
| Tc | 700.17 | K | Relay (... Calculated Property |
| Tfus | 284.55 | K | Relay (... Calculated Property |
| Vc | 0.465 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.40; 415.47] | J/mol×K | [519.27; 741.04] | 
|
| Cp,gas | 321.40 | J/mol×K | 519.27 | Joback Calculated Property |
| Cp,gas | 339.21 | J/mol×K | 556.23 | Joback Calculated Property |
| Cp,gas | 356.17 | J/mol×K | 593.19 | Joback Calculated Property |
| Cp,gas | 372.28 | J/mol×K | 630.16 | Joback Calculated Property |
| Cp,gas | 387.53 | J/mol×K | 667.12 | Joback Calculated Property |
| Cp,gas | 401.93 | J/mol×K | 704.08 | Joback Calculated Property |
| Cp,gas | 415.47 | J/mol×K | 741.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 390.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-.
Sources
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