- InChI
- InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h11,17H,5-9H2,1-4H3
- InChI Key
- ZWSWPQHKDLDIDL-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
-
CC1=C2CC(C(C)(C)O)CCC2(C)CCC1=
O - Molecular Weight1
- 236.35
- CAS
- 473-10-9
- 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.
- I : 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 | 0.6004 | Relay (... Calculated Property | |
| ΔfG° | -102.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -2.17 | Relay (... Calculated Property | |
| logPoct/wat | 3.243 | Crippen Calculated Property | |
| McVol | 203.630 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| Inp | [1879.00; 1935.70] |
|
|
| Inp | 1883.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Inp | 1879.00 | NIST | |
| Inp | 1935.70 | NIST | |
| Inp | 1895.00 | NIST | |
| Inp | 1922.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Inp | 1935.70 | NIST | |
| I | 2627.00 | NIST | |
| Tboil | 580.30 | K | Relay (... Calculated Property |
| Tc | 832.61 | K | Relay (... Calculated Property |
| Tfus | 406.70 | K | Relay (... Calculated Property |
| Vc | 0.714 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.75; 733.49] | J/mol×K | [739.29; 963.16] |
|
| Cp,gas | 631.75 | J/mol×K | 739.29 | Joback Calculated Property |
| Cp,gas | 650.32 | J/mol×K | 776.60 | Joback Calculated Property |
| Cp,gas | 668.06 | J/mol×K | 813.91 | Joback Calculated Property |
| Cp,gas | 685.09 | J/mol×K | 851.23 | Joback Calculated Property |
| Cp,gas | 701.58 | J/mol×K | 888.54 | Joback Calculated Property |
| Cp,gas | 717.66 | J/mol×K | 925.85 | Joback Calculated Property |
| Cp,gas | 733.49 | J/mol×K | 963.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to carissone.
Sources
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