- InChI
- InChI=1S/C18H30O/c1-14(2)8-6-10-16(19)11-12-17-15(3)9-7-13-18(17,4)5/h11-12,14H,6-10,13H2,1-5H3/b12-11+
- InChI Key
- RNFIPQAOLNYJEF-VAWYXSNFSA-N
- Formula
- C18H30O
- SMILES
-
CC1=C(C=CC(=O)CCCC(C)C)C(C)(C)
CCC1 - Molecular Weight1
- 262.43
- 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° | 79.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 5.465 | Crippen Calculated Property | |
| McVol | 246.590 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | 1954.00 | NIST | |
| Tboil | 697.74 | K | Joback Calculated Property |
| Tc | 904.12 | K | Joback Calculated Property |
| Tfus | 379.55 | K | Joback Calculated Property |
| Vc | 0.941 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [705.13; 815.82] | J/mol×K | [697.74; 904.12] | 
|
| Cp,gas | 705.13 | J/mol×K | 697.74 | Joback Calculated Property |
| Cp,gas | 725.45 | J/mol×K | 732.14 | Joback Calculated Property |
| Cp,gas | 744.86 | J/mol×K | 766.53 | Joback Calculated Property |
| Cp,gas | 763.48 | J/mol×K | 800.93 | Joback Calculated Property |
| Cp,gas | 781.43 | J/mol×K | 835.33 | Joback Calculated Property |
| Cp,gas | 798.84 | J/mol×K | 869.72 | Joback Calculated Property |
| Cp,gas | 815.82 | J/mol×K | 904.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Isoamylionone.
Sources
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