- InChI
- InChI=1S/C12H20O/c1-9-5-3-7-12(2)8-4-6-10(13)11(9)12/h4,6,9-11,13H,3,5,7-8H2,1-2H3/t9-,10+,11?,12-/m0/s1
- InChI Key
- KFMOLQKUBDSAST-MBYGNEARSA-N
- Formula
- C12H20O
- SMILES
- CC1CCCC2(C)CC=CC(O)C12
- Molecular Weight1
- 180.29
- 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 | 0.4365 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.750 | Crippen Calculated Property | |
| McVol | 159.790 | ml/mol | McGowan Calculated Property |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| Inp | [1361.00; 1361.00] |
|
|
| Inp | 1361.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Tboil | 521.50 | K | Relay (1.0) Calculated Property |
| Tc | 746.93 | K | Relay (1.0) Calculated Property |
| Tfus | 344.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.54; 535.65] | J/mol×K | [586.76; 796.45] |
|
| Cp,gas | 437.54 | J/mol×K | 586.76 | Joback Calculated Property |
| Cp,gas | 456.27 | J/mol×K | 621.71 | Joback Calculated Property |
| Cp,gas | 473.88 | J/mol×K | 656.66 | Joback Calculated Property |
| Cp,gas | 490.51 | J/mol×K | 691.61 | Joback Calculated Property |
| Cp,gas | 506.27 | J/mol×K | 726.55 | Joback Calculated Property |
| Cp,gas | 521.27 | J/mol×K | 761.50 | Joback Calculated Property |
| Cp,gas | 535.65 | J/mol×K | 796.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dehydrogeosinin.
Sources
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