- InChI
- InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
- InChI Key
- NNWHUJCUHAELCL-SNAWJCMRSA-N
- Formula
- C11H14O2
- SMILES
- CC=Cc1ccc(OC)c(OC)c1
- Molecular Weight1
- 178.23
- CAS
- 6379-72-2
- Other Names
-
- trans-Methylisoeugenol
- (E)-Methyl eugenol
- (E)-1,2-Dimethoxy-4-propenylbenzene
- 4-trans-propenylveratrole
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 5.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.737 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2616.41 | kPa | Joback Calculated Property |
| Inp | [1453.00; 1501.00] |
|
|
| Inp | 1466.00 | NIST | |
| Inp | 1461.80 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1465.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1460.00 | NIST | |
| Inp | 1500.00 | NIST | |
| I | [2176.00; 2209.00] |
|
|
| I | 2188.00 | NIST | |
| I | 2178.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2176.00 | NIST | |
| Tboil | 536.72 | K | Joback Calculated Property |
| Tc | 746.85 | K | Joback Calculated Property |
| Tfus | 304.57 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.08; 408.27] | J/mol×K | [536.72; 746.85] |
|
| Cp,gas | 333.08 | J/mol×K | 536.72 | Joback Calculated Property |
| Cp,gas | 347.28 | J/mol×K | 571.74 | Joback Calculated Property |
| Cp,gas | 360.80 | J/mol×K | 606.76 | Joback Calculated Property |
| Cp,gas | 373.65 | J/mol×K | 641.78 | Joback Calculated Property |
| Cp,gas | 385.84 | J/mol×K | 676.80 | Joback Calculated Property |
| Cp,gas | 397.38 | J/mol×K | 711.82 | Joback Calculated Property |
| Cp,gas | 408.27 | J/mol×K | 746.85 | Joback Calculated Property |
| η | [0.0001220; 0.0010229] | Pa×s | [304.57; 536.72] |
|
| η | 0.0010229 | Pa×s | 304.57 | Joback Calculated Property |
| η | 0.0005877 | Pa×s | 343.26 | Joback Calculated Property |
| η | 0.0003778 | Pa×s | 381.95 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 420.64 | Joback Calculated Property |
| η | 0.0001952 | Pa×s | 459.34 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 498.03 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 536.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Methyl isoeugenol.
Sources
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