- InChI
- InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,10-12,14H,5-6,9H2,1-4H3/b8-7+
- InChI Key
- CGAOOLUOEOTNNY-BQYQJAHWSA-N
- Formula
- C13H24O
- SMILES
- CC(O)C=CC1C(C)CCCC1(C)C
- Molecular Weight1
- 196.33
- 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° | 3.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.386 | Crippen Calculated Property | |
| McVol | 184.740 | ml/mol | McGowan Calculated Property |
| Pc | 2204.15 | kPa | Joback Calculated Property |
| Inp | [1371.00; 1371.00] |
|
|
| Inp | 1371.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Tboil | 603.19 | K | Joback Calculated Property |
| Tc | 800.30 | K | Joback Calculated Property |
| Tfus | 299.81 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.71; 601.55] | J/mol×K | [603.19; 800.30] |
|
| Cp,gas | 502.71 | J/mol×K | 603.19 | Joback Calculated Property |
| Cp,gas | 521.25 | J/mol×K | 636.04 | Joback Calculated Property |
| Cp,gas | 538.83 | J/mol×K | 668.89 | Joback Calculated Property |
| Cp,gas | 555.56 | J/mol×K | 701.75 | Joback Calculated Property |
| Cp,gas | 571.52 | J/mol×K | 734.60 | Joback Calculated Property |
| Cp,gas | 586.82 | J/mol×K | 767.45 | Joback Calculated Property |
| Cp,gas | 601.55 | J/mol×K | 800.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-dihydro-«gamma»-ionol.
Sources
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