- InChI
- InChI=1S/C17H24O2/c1-13-8-10-17(11-9-13)15(3)7-5-6-14(2)12-19-16(4)18/h6,8-11,15H,5,7,12H2,1-4H3/b14-6-
- InChI Key
- MGCGLWILILAXQZ-NSIKDUERSA-N
- Formula
- C17H24O2
- SMILES
-
CC(=O)OCC(C)=CCCC(C)c1ccc(C)cc
1 - Molecular Weight1
- 260.37
- CAS
- 151593-40-7
- Other Names
-
- (Z)-Nuciferol acetate
- 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 | 0.6023 | Relay (... Calculated Property | |
| ΔfG° | 30.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.54 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.37 | kJ/mol | Relay (... Calculated Property |
| IE | 8.07 | eV | Relay (... Calculated Property |
| log10WS | -4.70 | Relay (... Calculated Property | |
| logPoct/wat | 4.388 | Crippen Calculated Property | |
| McVol | 229.770 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [1833.00; 1835.00] |
|
|
| Inp | 1833.00 | NIST | |
| Inp | 1835.00 | NIST | |
| Inp | 1833.00 | NIST | |
| Tboil | 592.91 | K | Relay (... Calculated Property |
| Tc | 784.70 | K | Relay (... Calculated Property |
| Tfus | 276.11 | K | Relay (... Calculated Property |
| Vc | 0.813 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.07; 721.82] | J/mol×K | [699.91; 906.88] |
|
| Cp,gas | 632.07 | J/mol×K | 699.91 | Joback Calculated Property |
| Cp,gas | 649.48 | J/mol×K | 734.41 | Joback Calculated Property |
| Cp,gas | 665.84 | J/mol×K | 768.90 | Joback Calculated Property |
| Cp,gas | 681.22 | J/mol×K | 803.40 | Joback Calculated Property |
| Cp,gas | 695.65 | J/mol×K | 837.89 | Joback Calculated Property |
| Cp,gas | 709.16 | J/mol×K | 872.39 | Joback Calculated Property |
| Cp,gas | 721.82 | J/mol×K | 906.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Nuciferyl acetate.
Sources
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