- InChI
- InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
- InChI Key
- WCQFXNQALHURHS-BUHFOSPRSA-N
- Formula
- C23H36O3
- SMILES
-
CCCCCCCCCCCC=CC(=O)CCc1ccc(O)c
(OC)c1 - Molecular Weight1
- 360.53
- CAS
- 104264-52-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -62.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.86 | kJ/mol | Joback Calculated Property |
| log10WS | -6.94 | Crippen Calculated Property | |
| logPoct/wat | 6.380 | Crippen Calculated Property | |
| McVol | 320.180 | ml/mol | McGowan Calculated Property |
| Pc | 1219.99 | kPa | Joback Calculated Property |
| Inp | [2937.70; 2937.70] |
|
|
| Inp | 2937.70 | NIST | |
| Inp | 2937.70 | NIST | |
| Tboil | 918.37 | K | Joback Calculated Property |
| Tc | 1128.58 | K | Joback Calculated Property |
| Tfus | 566.71 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1043.46; 1140.49] | J/mol×K | [918.37; 1128.58] |
|
| Cp,gas | 1043.46 | J/mol×K | 918.37 | Joback Calculated Property |
| Cp,gas | 1061.25 | J/mol×K | 953.41 | Joback Calculated Property |
| Cp,gas | 1078.25 | J/mol×K | 988.44 | Joback Calculated Property |
| Cp,gas | 1094.58 | J/mol×K | 1023.48 | Joback Calculated Property |
| Cp,gas | 1110.34 | J/mol×K | 1058.51 | Joback Calculated Property |
| Cp,gas | 1125.60 | J/mol×K | 1093.55 | Joback Calculated Property |
| Cp,gas | 1140.49 | J/mol×K | 1128.58 | Joback Calculated Property |
| η | [0.0000017; 0.0000635] | Pa×s | [566.71; 918.37] |
|
| η | 0.0000635 | Pa×s | 566.71 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 625.32 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 683.93 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 742.54 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 801.15 | Joback Calculated Property |
| η | 0.0000026 | Pa×s | 859.76 | Joback Calculated Property |
| η | 0.0000017 | Pa×s | 918.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-4-en-3-one.
Sources
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