- InChI
- InChI=1S/C17H24O2/c1-4-17(18)19-13-14(2)9-8-10-15(3)16-11-6-5-7-12-16/h5-7,9,11-12,15H,4,8,10,13H2,1-3H3/b14-9-
- InChI Key
- KHAFAJWRDKUPHE-ZROIWOOFSA-N
- Formula
- C17H24O2
- SMILES
- CCC(=O)OCC(C)=CCCC(C)c1ccccc1
- Molecular Weight1
- 260.37
- 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 | 0.5965 | Relay (... Calculated Property | |
| ΔfG° | 39.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.35 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.72 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -4.54 | Relay (... Calculated Property | |
| logPoct/wat | 4.470 | Crippen Calculated Property | |
| McVol | 229.770 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | 1875.00 | NIST | |
| Tboil | 583.84 | K | Relay (... Calculated Property |
| Tc | 784.46 | K | Relay (... Calculated Property |
| Tfus | 267.53 | K | Relay (... Calculated Property |
| Vc | 0.813 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [632.49; 722.83] | J/mol×K | [694.93; 901.07] | 
|
| Cp,gas | 632.49 | J/mol×K | 694.93 | Joback Calculated Property |
| Cp,gas | 650.04 | J/mol×K | 729.29 | Joback Calculated Property |
| Cp,gas | 666.53 | J/mol×K | 763.64 | Joback Calculated Property |
| Cp,gas | 682.01 | J/mol×K | 798.00 | Joback Calculated Property |
| Cp,gas | 696.52 | J/mol×K | 832.36 | Joback Calculated Property |
| Cp,gas | 710.11 | J/mol×K | 866.72 | Joback Calculated Property |
| Cp,gas | 722.83 | J/mol×K | 901.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ( Z)-nuciferyl propanoate.
Sources
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