- InChI
- InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3
- InChI Key
- FYRHTIWFKXZWAD-UHFFFAOYSA-N
- Formula
- C11H12O3
- SMILES
- C=CCc1cc2c(cc1OC)OCO2
- Molecular Weight1
- 192.21
- CAS
- 18607-93-7
- Other Names
-
- 5-methoxy-6-(2-propenyl)-1,3-benzodioxole
- Asaricin
- Sarisane
- Benzene, 1-allyl-2-methoxy-4,5-methylenedioxy
- 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° | 4.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [1461.00; 1513.00] |
|
|
| Inp | 1489.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1499.00 | NIST | |
| I | [2187.00; 2199.00] |
|
|
| I | 2187.00 | NIST | |
| I | 2187.00 | NIST | |
| I | 2199.00 | NIST | |
| Tboil | 577.11 | K | Joback Calculated Property |
| Tc | 797.56 | K | Joback Calculated Property |
| Tfus | 373.50 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.04; 418.05] | J/mol×K | [577.11; 797.56] |
|
| Cp,gas | 350.04 | J/mol×K | 577.11 | Joback Calculated Property |
| Cp,gas | 363.26 | J/mol×K | 613.85 | Joback Calculated Property |
| Cp,gas | 375.67 | J/mol×K | 650.59 | Joback Calculated Property |
| Cp,gas | 387.31 | J/mol×K | 687.33 | Joback Calculated Property |
| Cp,gas | 398.23 | J/mol×K | 724.07 | Joback Calculated Property |
| Cp,gas | 408.46 | J/mol×K | 760.81 | Joback Calculated Property |
| Cp,gas | 418.05 | J/mol×K | 797.56 | Joback Calculated Property |
| η | [0.0003548; 0.0014201] | Pa×s | [373.50; 577.11] |
|
| η | 0.0014201 | Pa×s | 373.50 | Joback Calculated Property |
| η | 0.0010235 | Pa×s | 407.44 | Joback Calculated Property |
| η | 0.0007758 | Pa×s | 441.37 | Joback Calculated Property |
| η | 0.0006118 | Pa×s | 475.31 | Joback Calculated Property |
| η | 0.0004980 | Pa×s | 509.24 | Joback Calculated Property |
| η | 0.0004159 | Pa×s | 543.17 | Joback Calculated Property |
| η | 0.0003548 | Pa×s | 577.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxysafrole.
Sources
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