- InChI
- InChI=1S/C16H24O2/c1-13-7-9-16(10-8-13)15(3)6-4-5-14(2)11-18-12-17/h5,7,9,12,15H,4,6,8,10-11H2,1-3H3/b14-5-/t15-/m0/s1
- InChI Key
- DLKFJGNOPMPJPZ-AGKVCYSUSA-N
- Formula
- C16H24O2
- SMILES
- CC1=CC=C(C(C)CCC=C(C)COC=O)CC1
- Molecular Weight1
- 248.36
- 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 | 0.5166 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.189 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | [1746.00; 1746.00] |
|
|
| Inp | 1746.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Tboil | 574.58 | K | Relay (1.0) Calculated Property |
| Tc | 760.49 | K | Relay (1.0) Calculated Property |
| Tfus | 277.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.94; 692.86] | J/mol×K | [672.66; 876.81] |
|
| Cp,gas | 600.94 | J/mol×K | 672.66 | Joback Calculated Property |
| Cp,gas | 618.67 | J/mol×K | 706.69 | Joback Calculated Property |
| Cp,gas | 635.39 | J/mol×K | 740.71 | Joback Calculated Property |
| Cp,gas | 651.13 | J/mol×K | 774.74 | Joback Calculated Property |
| Cp,gas | 665.92 | J/mol×K | 808.76 | Joback Calculated Property |
| Cp,gas | 679.82 | J/mol×K | 842.79 | Joback Calculated Property |
| Cp,gas | 692.86 | J/mol×K | 876.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-«gamma»-Curcumen-12-yl formate.
Sources
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