- InChI
- InChI=1S/C17H24O2/c1-14-9-11-17(12-10-14)8-6-4-5-7-15(2)13-19-16(3)18/h7,9-12H,4-6,8,13H2,1-3H3/b15-7+
- InChI Key
- BWLPFSJVSUPCNH-VIZOYTHASA-N
- Formula
- C17H24O2
- SMILES
- CC(=O)OCC(C)=CCCCCc1ccc(C)cc1
- Molecular Weight1
- 260.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 32.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 4.217 | Crippen Calculated Property | |
| McVol | 229.770 | ml/mol | McGowan Calculated Property |
| Pc | 1692.12 | kPa | Joback Calculated Property |
| Inp | [1837.00; 1837.00] |
|
|
| Inp | 1837.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Tboil | 700.35 | K | Joback Calculated Property |
| Tc | 903.88 | K | Joback Calculated Property |
| Tfus | 373.41 | K | Joback Calculated Property |
| Vc | 0.884 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.58; 720.07] | J/mol×K | [700.35; 903.88] |
|
| Cp,gas | 631.58 | J/mol×K | 700.35 | Joback Calculated Property |
| Cp,gas | 648.67 | J/mol×K | 734.27 | Joback Calculated Property |
| Cp,gas | 664.77 | J/mol×K | 768.19 | Joback Calculated Property |
| Cp,gas | 679.92 | J/mol×K | 802.12 | Joback Calculated Property |
| Cp,gas | 694.16 | J/mol×K | 836.04 | Joback Calculated Property |
| Cp,gas | 707.53 | J/mol×K | 869.96 | Joback Calculated Property |
| Cp,gas | 720.07 | J/mol×K | 903.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Nuciferyl acetate.
Sources
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