- InChI
- InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
- InChI Key
- RRXOQHQFJOQLQR-AATRIKPKSA-N
- Formula
- C12H16O3
- SMILES
- CC=Cc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 208.25
- CAS
- 487-12-7
- Other Names
-
- Benzene, 5(1-propenyl)-1,2,3-trimethoxy
- Isoelemicine
- 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° | -101.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.745 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | [1577.00; 1657.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1581.00 | NIST | |
| Inp | 1612.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1596.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1596.00 | NIST | |
| I | [2390.00; 2403.00] |
|
|
| I | 2399.00 | NIST | |
| I | 2390.00 | NIST | |
| I | 2403.00 | NIST | |
| Tboil | 587.00 | K | Joback Calculated Property |
| Tc | 792.75 | K | Joback Calculated Property |
| Tfus | 350.59 | K | Joback Calculated Property |
| Vc | 0.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.78; 482.46] | J/mol×K | [587.00; 792.75] |
|
| Cp,gas | 404.78 | J/mol×K | 587.00 | Joback Calculated Property |
| Cp,gas | 419.37 | J/mol×K | 621.29 | Joback Calculated Property |
| Cp,gas | 433.31 | J/mol×K | 655.58 | Joback Calculated Property |
| Cp,gas | 446.60 | J/mol×K | 689.87 | Joback Calculated Property |
| Cp,gas | 459.22 | J/mol×K | 724.16 | Joback Calculated Property |
| Cp,gas | 471.18 | J/mol×K | 758.45 | Joback Calculated Property |
| Cp,gas | 482.46 | J/mol×K | 792.75 | Joback Calculated Property |
| η | [0.0000910; 0.0006142] | Pa×s | [350.59; 587.00] |
|
| η | 0.0006142 | Pa×s | 350.59 | Joback Calculated Property |
| η | 0.0003804 | Pa×s | 389.99 | Joback Calculated Property |
| η | 0.0002572 | Pa×s | 429.39 | Joback Calculated Property |
| η | 0.0001858 | Pa×s | 468.80 | Joback Calculated Property |
| η | 0.0001411 | Pa×s | 508.20 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 547.60 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 587.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoelemicin.
Sources
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