- InChI
- InChI=1S/C12H18O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h4,11H,3,5-8H2,1-2H3/t11-,12+/m0/s1
- InChI Key
- NBHKNHAIXORYMW-NWDGAFQWSA-N
- Formula
- C12H18O
- SMILES
- CC1=CCCC2(C)CC(=O)CCC12
- Molecular Weight1
- 178.27
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 15.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 3.102 | Crippen Calculated Property | |
| McVol | 155.490 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | 1461.00 | NIST | |
| Tboil | 576.72 | K | Joback Calculated Property |
| Tc | 820.09 | K | Joback Calculated Property |
| Tfus | 352.20 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.28; 512.16] | J/mol×K | [576.72; 820.09] | 
|
| Cp,gas | 404.28 | J/mol×K | 576.72 | Joback Calculated Property |
| Cp,gas | 425.04 | J/mol×K | 617.28 | Joback Calculated Property |
| Cp,gas | 444.48 | J/mol×K | 657.84 | Joback Calculated Property |
| Cp,gas | 462.77 | J/mol×K | 698.41 | Joback Calculated Property |
| Cp,gas | 480.04 | J/mol×K | 738.97 | Joback Calculated Property |
| Cp,gas | 496.46 | J/mol×K | 779.53 | Joback Calculated Property |
| Cp,gas | 512.16 | J/mol×K | 820.09 | Joback Calculated Property |
Similar Compounds
Sources
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