- InChI
- InChI=1S/C18H26O2/c1-4-9-18(19)20-14-15(2)10-8-11-16(3)17-12-6-5-7-13-17/h5-7,10,12-13,16H,4,8-9,11,14H2,1-3H3/b15-10+
- InChI Key
- DRIYSCTYBGABSN-XNTDXEJSSA-N
- Formula
- C18H26O2
- SMILES
- CCCC(=O)OCC(C)=CCCC(C)c1ccccc1
- Molecular Weight1
- 274.40
- 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 | 0.6423 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.860 | Crippen Calculated Property | |
| McVol | 243.860 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | 2004.00 | NIST | |
| Tboil | 592.34 | K | Relay (1.0) Calculated Property |
| Tc | 794.41 | K | Relay (1.0) Calculated Property |
| Tfus | 257.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.867 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.95; 779.76] | J/mol×K | [717.81; 921.52] | 
|
| Cp,gas | 687.95 | J/mol×K | 717.81 | Joback Calculated Property |
| Cp,gas | 705.77 | J/mol×K | 751.76 | Joback Calculated Property |
| Cp,gas | 722.51 | J/mol×K | 785.71 | Joback Calculated Property |
| Cp,gas | 738.23 | J/mol×K | 819.67 | Joback Calculated Property |
| Cp,gas | 752.98 | J/mol×K | 853.62 | Joback Calculated Property |
| Cp,gas | 766.81 | J/mol×K | 887.57 | Joback Calculated Property |
| Cp,gas | 779.76 | J/mol×K | 921.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ( E)-nuciferyl butanoate.
Sources
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