- InChI
- InChI=1S/C17H26O/c1-11-7-8-17-10-14(11)16(3,4)15(17)6-5-13(17)9-12(2)18/h9,11,14-15H,5-8,10H2,1-4H3/b13-9-/t11-,14?,15?,17-/m1/s1
- InChI Key
- WXETUDXXEZHSCS-OPFIGPJUSA-N
- Formula
- C17H26O
- SMILES
-
CC(=O)C=C1CCC2C13CCC(C)C(C3)C2
(C)C - Molecular Weight1
- 246.39
- CAS
- 80449-58-7
- 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 | 0.4249 | Relay (1.0) Calculated Property | |
| ΔfG° | 140.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.374 | Crippen Calculated Property | |
| McVol | 215.080 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [1768.00; 1770.10] |
|
|
| Inp | 1770.10 | NIST | |
| Inp | 1768.00 | NIST | |
| I | 2213.00 | NIST | |
| Tboil | 574.76 | K | Relay (1.0) Calculated Property |
| Tc | 833.28 | K | Relay (1.0) Calculated Property |
| Tfus | 357.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.747 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [639.83; 762.95] | J/mol×K | [668.77; 896.35] |
|
| Cp,gas | 639.83 | J/mol×K | 668.77 | Joback Calculated Property |
| Cp,gas | 661.72 | J/mol×K | 706.70 | Joback Calculated Property |
| Cp,gas | 682.64 | J/mol×K | 744.63 | Joback Calculated Property |
| Cp,gas | 702.91 | J/mol×K | 782.56 | Joback Calculated Property |
| Cp,gas | 722.85 | J/mol×K | 820.49 | Joback Calculated Property |
| Cp,gas | 742.75 | J/mol×K | 858.42 | Joback Calculated Property |
| Cp,gas | 762.95 | J/mol×K | 896.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetyl cedrene.
Sources
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