- InChI
- InChI=1S/C19H32/c1-14(2)8-10-16-15(3)9-11-17-18(4,5)12-7-13-19(16,17)6/h16-17H,1,3,7-13H2,2,4-6H3/t16-,17?,19+/m1/s1
- InChI Key
- XEIZSSHACMVIRI-HHBDYARMSA-N
- Formula
- C19H32
- SMILES
-
C=C(C)CCC1C(=C)CCC2C(C)(C)CCCC
12C - Molecular Weight1
- 260.46
- 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 | 0.4075 | Relay (... Calculated Property | |
| ΔfG° | 288.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.99 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -6.21 | Relay (... Calculated Property | |
| logPoct/wat | 6.142 | Crippen Calculated Property | |
| McVol | 248.250 | ml/mol | McGowan Calculated Property |
| Pc | 1488.44 | kPa | Joback Calculated Property |
| Inp | [1793.00; 1799.00] |
|
|
| Inp | 1793.00 | NIST | |
| Inp | 1799.00 | NIST | |
| I | 1971.00 | NIST | |
| Tboil | 592.26 | K | Relay (... Calculated Property |
| Tc | 792.44 | K | Relay (... Calculated Property |
| Tfus | 274.28 | K | Relay (... Calculated Property |
| Vc | 0.842 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.85; 853.45] | J/mol×K | [651.54; 867.78] |
|
| Cp,gas | 716.85 | J/mol×K | 651.54 | Joback Calculated Property |
| Cp,gas | 741.79 | J/mol×K | 687.58 | Joback Calculated Property |
| Cp,gas | 765.55 | J/mol×K | 723.62 | Joback Calculated Property |
| Cp,gas | 788.37 | J/mol×K | 759.66 | Joback Calculated Property |
| Cp,gas | 810.47 | J/mol×K | 795.70 | Joback Calculated Property |
| Cp,gas | 832.09 | J/mol×K | 831.74 | Joback Calculated Property |
| Cp,gas | 853.45 | J/mol×K | 867.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 15-nor-Labd-8(17)-ene.
Sources
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