- InChI
- InChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3
- InChI Key
- LGSKOQUJWNADCQ-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
-
CC1(C)C2=CC(=O)CC(C)(C)C23CCC1
C3 - Molecular Weight1
- 218.33
- CAS
- 26839-52-1
- Other Names
-
- Isolongifolen-9-one
- 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° | 107.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.738 | Crippen Calculated Property | |
| McVol | 186.900 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | 1627.90 | NIST | |
| Tboil | 639.37 | K | Joback Calculated Property |
| Tc | 887.45 | K | Joback Calculated Property |
| Tfus | 454.55 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.19; 661.47] | J/mol×K | [639.37; 887.45] | 
|
| Cp,gas | 538.19 | J/mol×K | 639.37 | Joback Calculated Property |
| Cp,gas | 559.31 | J/mol×K | 680.72 | Joback Calculated Property |
| Cp,gas | 579.56 | J/mol×K | 722.06 | Joback Calculated Property |
| Cp,gas | 599.42 | J/mol×K | 763.41 | Joback Calculated Property |
| Cp,gas | 619.37 | J/mol×K | 804.76 | Joback Calculated Property |
| Cp,gas | 639.89 | J/mol×K | 846.10 | Joback Calculated Property |
| Cp,gas | 661.47 | J/mol×K | 887.45 | Joback Calculated Property |
Similar Compounds
Sources
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