- InChI
- InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
- InChI Key
- BPLQKQKXWHCZSS-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- C=CCc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 208.25
- CAS
- 487-11-6
- Other Names
-
- Benzene, 5-allyl-1,2,3-trimethoxy-
- Elemicin
- 3,4,5-Trimethoxyallylbenzene
- 5-Allyl-1,2,3-trimethoxybenzene
- 1,2,3-Trimethoxy-5-(2-propenyl)-benzene
- 1,2,3-Trimethoxy-5-allylbenzene
- 4-Allyl-1,2,6-trimethoxybenzene
- Benzene, 5-(2-propenyl)-1,2,3-trimethoxy
- Elemicine
- 1,2,3-trimethoxy-5-allylbenzene (elemicin)
- 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° | -93.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.13 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.441 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | [1512.00; 1566.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1524.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1559.60 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1558.30 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1565.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1540.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1550.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1533.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1562.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1553.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Inp | 1557.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1516.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Inp | 1515.00 | NIST | |
| I | [2202.00; 2264.00] |
|
|
| I | 2221.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2202.00 | NIST | |
| I | 2260.00 | NIST | |
| I | 2219.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2215.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2226.00 | NIST | |
| I | Outlier 2264.00 | NIST | |
| I | 2215.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2221.00 | NIST | |
| I | 2239.00 | NIST | |
| I | 2242.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2214.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2246.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2221.00 | NIST | |
| I | 2245.00 | NIST | |
| I | 2214.00 | NIST | |
| Tboil | 579.52 | K | Joback Calculated Property |
| Tc | 780.79 | K | Joback Calculated Property |
| Tfus | 353.91 | K | Joback Calculated Property |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.13; 481.39] | J/mol×K | [579.52; 780.79] |
|
| Cp,gas | 404.13 | J/mol×K | 579.52 | Joback Calculated Property |
| Cp,gas | 418.56 | J/mol×K | 613.06 | Joback Calculated Property |
| Cp,gas | 432.39 | J/mol×K | 646.61 | Joback Calculated Property |
| Cp,gas | 445.60 | J/mol×K | 680.15 | Joback Calculated Property |
| Cp,gas | 458.19 | J/mol×K | 713.70 | Joback Calculated Property |
| Cp,gas | 470.12 | J/mol×K | 747.24 | Joback Calculated Property |
| Cp,gas | 481.39 | J/mol×K | 780.79 | Joback Calculated Property |
| η | [0.0001098; 0.0006532] | Pa×s | [353.91; 579.52] |
|
| η | 0.0006532 | Pa×s | 353.91 | Joback Calculated Property |
| η | 0.0004207 | Pa×s | 391.51 | Joback Calculated Property |
| η | 0.0002927 | Pa×s | 429.11 | Joback Calculated Property |
| η | 0.0002159 | Pa×s | 466.72 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 504.32 | Joback Calculated Property |
| η | 0.0001333 | Pa×s | 541.92 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 579.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-.
Sources
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