- InChI
- InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
- InChI Key
- JMFRWRFFLBVWSI-NSCUHMNNSA-N
- Formula
- C10H12O3
- SMILES
- COc1cc(C=CCO)ccc1O
- Molecular Weight1
- 180.20
- CAS
- 69056-21-9
- Other Names
-
- 3-(4-Hydroxy-3-methoxyphenyl)-2-propenyl alcohol (cis-coniferyl alcohol)
- 2-Propen-1-ol, 3-(4-hydroxy-3-methoxyphenyl), (E)-
- 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° | -180.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 1.406 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Inp | [1683.00; 1727.00] |
|
|
| Inp | 1683.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Inp | 1683.00 | NIST | |
| I | 2832.00 | NIST | |
| Tboil | 659.24 | K | Joback Calculated Property |
| Tc | 869.04 | K | Joback Calculated Property |
| Tfus | 431.09 | K | Joback Calculated Property |
| Vc | 0.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.86; 415.12] | J/mol×K | [659.24; 869.04] |
|
| Cp,gas | 361.86 | J/mol×K | 659.24 | Joback Calculated Property |
| Cp,gas | 371.97 | J/mol×K | 694.21 | Joback Calculated Property |
| Cp,gas | 381.51 | J/mol×K | 729.17 | Joback Calculated Property |
| Cp,gas | 390.53 | J/mol×K | 764.14 | Joback Calculated Property |
| Cp,gas | 399.09 | J/mol×K | 799.11 | Joback Calculated Property |
| Cp,gas | 407.27 | J/mol×K | 834.08 | Joback Calculated Property |
| Cp,gas | 415.12 | J/mol×K | 869.04 | Joback Calculated Property |
| η | [0.0000056; 0.0004866] | Pa×s | [431.09; 659.24] |
|
| η | 0.0004866 | Pa×s | 431.09 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 469.12 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 507.14 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 545.16 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 583.19 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 621.22 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 659.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(1 E)-3-hydroxy-1-propenyl-2-methoxyphenol.
Sources
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