- InChI
- InChI=1S/C21H26O2/c1-3-4-5-6-17-23-21-15-11-19(12-16-21)8-7-18-9-13-20(22-2)14-10-18/h7-16H,3-6,17H2,1-2H3/b8-7+
- InChI Key
- MWDBDMGQXOYWJG-BQYQJAHWSA-N
- Formula
- C21H26O2
- SMILES
-
CCCCCCOc1ccc(C=Cc2ccc(OC)cc2)c
c1 - Molecular Weight1
- 310.43
- CAS
- 35135-44-5
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 201.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.99 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 5.825 | Crippen Calculated Property | |
| McVol | 266.670 | ml/mol | McGowan Calculated Property |
| Pc | 1497.67 | kPa | Joback Calculated Property |
| Tboil | 792.20 | K | Joback Calculated Property |
| Tc | 1008.83 | K | Joback Calculated Property |
| Tfus | 430.00 ± 1.00 | K | NIST |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.37; 868.92] | J/mol×K | [792.20; 1008.83] | 
|
| Cp,gas | 779.37 | J/mol×K | 792.20 | Joback Calculated Property |
| Cp,gas | 797.17 | J/mol×K | 828.31 | Joback Calculated Property |
| Cp,gas | 813.76 | J/mol×K | 864.41 | Joback Calculated Property |
| Cp,gas | 829.17 | J/mol×K | 900.52 | Joback Calculated Property |
| Cp,gas | 843.47 | J/mol×K | 936.62 | Joback Calculated Property |
| Cp,gas | 856.71 | J/mol×K | 972.73 | Joback Calculated Property |
| Cp,gas | 868.92 | J/mol×K | 1008.83 | Joback Calculated Property |
| η | [0.0000454; 0.0005270] | Pa×s | [443.69; 792.20] |
|
| η | 0.0005270 | Pa×s | 443.69 | Joback Calculated Property |
| η | 0.0002765 | Pa×s | 501.78 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 559.86 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 617.94 | Joback Calculated Property |
| η | 0.0000776 | Pa×s | 676.03 | Joback Calculated Property |
| η | 0.0000581 | Pa×s | 734.12 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 792.20 | Joback Calculated Property |
| ΔfusH | 41.38 | kJ/mol | 430.00 | NIST |
| ΔfusS | 96.20 | J/mol×K | 430.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Methoxy-4'-hexoxy-trans-stilbene.
Sources
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