- InChI
- InChI=1S/C22H28O2/c1-3-4-5-6-7-18-24-22-16-12-20(13-17-22)9-8-19-10-14-21(23-2)15-11-19/h8-17H,3-7,18H2,1-2H3/b9-8+
- InChI Key
- NXFLCVCENJLQFQ-CMDGGOBGSA-N
- Formula
- C22H28O2
- SMILES
-
CCCCCCCOc1ccc(C=Cc2ccc(OC)cc2)
cc1 - Molecular Weight1
- 324.46
- CAS
- 35135-45-6
- 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° | 210.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.83 | Crippen Calculated Property | |
| logPoct/wat | 6.215 | Crippen Calculated Property | |
| McVol | 280.760 | ml/mol | McGowan Calculated Property |
| Pc | 1392.29 | kPa | Joback Calculated Property |
| Tboil | 815.08 | K | Joback Calculated Property |
| Tc | 1029.63 | K | Joback Calculated Property |
| Tfus | 423.00 ± 1.00 | K | NIST |
| Vc | 1.067 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [837.62; 927.74] | J/mol×K | [815.08; 1029.63] | 
|
| Cp,gas | 837.62 | J/mol×K | 815.08 | Joback Calculated Property |
| Cp,gas | 855.53 | J/mol×K | 850.84 | Joback Calculated Property |
| Cp,gas | 872.22 | J/mol×K | 886.60 | Joback Calculated Property |
| Cp,gas | 887.73 | J/mol×K | 922.36 | Joback Calculated Property |
| Cp,gas | 902.12 | J/mol×K | 958.12 | Joback Calculated Property |
| Cp,gas | 915.44 | J/mol×K | 993.88 | Joback Calculated Property |
| Cp,gas | 927.74 | J/mol×K | 1029.63 | Joback Calculated Property |
| η | [0.0000400; 0.0004836] | Pa×s | [454.96; 815.08] |
|
| η | 0.0004836 | Pa×s | 454.96 | Joback Calculated Property |
| η | 0.0002506 | Pa×s | 514.98 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 575.00 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 635.02 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 695.04 | Joback Calculated Property |
| η | 0.0000514 | Pa×s | 755.06 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 815.08 | Joback Calculated Property |
| ΔfusH | 42.76 | kJ/mol | 423.00 | NIST |
| ΔfusS | 101.10 | J/mol×K | 423.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Methoxy-4'-heptoxy-trans-stilbene.
Sources
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