- InChI
- InChI=1S/C18H28O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h8-9,15-16H,1,6-7,10-12H2,2-5H3/b9-8+
- InChI Key
- GWLGWWOKIBLQJF-CMDGGOBGSA-N
- Formula
- C18H28O
- SMILES
-
C=C1CCC2C(C)(C)CCCC2(C)C1C=CC(
C)=O - Molecular Weight1
- 260.41
- CAS
- 76497-69-3
- 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.
- 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 | 0.4105 | Relay (... Calculated Property | |
| ΔfG° | 151.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -266.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.14 | kJ/mol | Relay (... Calculated Property |
| IE | 8.70 | eV | Relay (... Calculated Property |
| log10WS | -4.60 | Relay (... Calculated Property | |
| logPoct/wat | 4.930 | Crippen Calculated Property | |
| McVol | 235.730 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | [1994.10; 1994.10] |
|
|
| Inp | 1994.10 | NIST | |
| Inp | 1994.10 | NIST | |
| Tboil | 593.11 | K | Relay (... Calculated Property |
| Tc | 823.46 | K | Relay (... Calculated Property |
| Tfus | 343.79 | K | Relay (... Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.36; 821.36] | J/mol×K | [690.13; 917.31] |
|
| Cp,gas | 692.36 | J/mol×K | 690.13 | Joback Calculated Property |
| Cp,gas | 715.27 | J/mol×K | 727.99 | Joback Calculated Property |
| Cp,gas | 737.26 | J/mol×K | 765.86 | Joback Calculated Property |
| Cp,gas | 758.59 | J/mol×K | 803.72 | Joback Calculated Property |
| Cp,gas | 779.53 | J/mol×K | 841.58 | Joback Calculated Property |
| Cp,gas | 800.37 | J/mol×K | 879.45 | Joback Calculated Property |
| Cp,gas | 821.36 | J/mol×K | 917.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-15,16-Dinorlabda-8(17),11-dien-13-one.
Sources
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