- InChI
- InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
- InChI Key
- YKSSSKBJDZDZTD-XVNBXDOJSA-N
- Formula
- C17H18O2
- SMILES
- CC=Cc1ccc(OCc2ccccc2)c(OC)c1
- Molecular Weight1
- 254.32
- CAS
- 120-11-6
- Other Names
-
- Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-
- Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl-
- Benzyl alcohol, ether with isoeugenol
- Benzyl isoeugenol
- Benzyl isoeugenol ether
- Benzyl 2-methoxy-4-propenylphenyl ether
- 1-(Benzyloxy)-2-methoxy-4-(1-propenyl)benzene
- Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propen-1-yl)-
- NSC 46157
- benzyl 2-methoxy-4-prop-1-enylphenyl ether
- 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° | 168.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.09 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.307 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | [2078.40; 2078.40] |
|
|
| Inp | 2078.40 | NIST | |
| Inp | 2078.40 | NIST | |
| Tboil | 700.68 | K | Joback Calculated Property |
| Tc | 930.89 | K | Joback Calculated Property |
| Tfus | 398.61 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.28; 641.34] | J/mol×K | [700.68; 930.89] |
|
| Cp,gas | 556.28 | J/mol×K | 700.68 | Joback Calculated Property |
| Cp,gas | 573.27 | J/mol×K | 739.05 | Joback Calculated Property |
| Cp,gas | 589.08 | J/mol×K | 777.42 | Joback Calculated Property |
| Cp,gas | 603.75 | J/mol×K | 815.79 | Joback Calculated Property |
| Cp,gas | 617.32 | J/mol×K | 854.16 | Joback Calculated Property |
| Cp,gas | 629.83 | J/mol×K | 892.52 | Joback Calculated Property |
| Cp,gas | 641.34 | J/mol×K | 930.89 | Joback Calculated Property |
| η | [0.0000724; 0.0006987] | Pa×s | [398.61; 700.68] |
|
| η | 0.0006987 | Pa×s | 398.61 | Joback Calculated Property |
| η | 0.0003874 | Pa×s | 448.96 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 499.30 | Joback Calculated Property |
| η | 0.0001647 | Pa×s | 549.64 | Joback Calculated Property |
| η | 0.0001196 | Pa×s | 599.99 | Joback Calculated Property |
| η | 0.0000913 | Pa×s | 650.34 | Joback Calculated Property |
| η | 0.0000724 | Pa×s | 700.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoeugenol, benzyl ether.
Sources
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