- InChI
- InChI=1S/C16H22O2/c1-12-8-10-15(11-9-12)13(2)6-5-7-14(3)16(17)18-4/h7-11,13H,5-6H2,1-4H3/b14-7-
- InChI Key
- XICYLTQBNRFIHM-AUWJEWJLSA-N
- Formula
- C16H22O2
- SMILES
- COC(=O)C(C)=CCCC(C)c1ccc(C)cc1
- Molecular Weight1
- 246.34
- 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.
- I : 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 | 0.5861 | Relay (1.0) Calculated Property | |
| ΔfG° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -366.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.998 | Crippen Calculated Property | |
| McVol | 215.680 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | [1810.00; 1810.00] |
|
|
| Inp | 1810.00 | NIST | |
| Inp | 1810.00 | NIST | |
| I | 2450.00 | NIST | |
| Tboil | 574.71 | K | Relay (1.0) Calculated Property |
| Tc | 781.56 | K | Relay (1.0) Calculated Property |
| Tfus | 296.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.77; 665.72] | J/mol×K | [677.03; 886.86] |
|
| Cp,gas | 577.77 | J/mol×K | 677.03 | Joback Calculated Property |
| Cp,gas | 594.84 | J/mol×K | 712.00 | Joback Calculated Property |
| Cp,gas | 610.90 | J/mol×K | 746.97 | Joback Calculated Property |
| Cp,gas | 625.97 | J/mol×K | 781.95 | Joback Calculated Property |
| Cp,gas | 640.10 | J/mol×K | 816.92 | Joback Calculated Property |
| Cp,gas | 653.34 | J/mol×K | 851.89 | Joback Calculated Property |
| Cp,gas | 665.72 | J/mol×K | 886.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl ar-curcumen-12-oate.
Sources
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