- InChI
- InChI=1S/C10H14O3/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7,11H,5-6H2,1-2H3
- InChI Key
- SRQAJMUHZROVHW-UHFFFAOYSA-N
- Formula
- C10H14O3
- SMILES
- COc1ccc(CCO)cc1OC
- Molecular Weight1
- 182.22
- CAS
- 7417-21-2
- Other Names
-
- 2-(3,4-Dimethoxyphenyl)ethanol
- Benzeneethanol, 3,4-dimethoxy-
- Phenethyl alcohol, 3,4-dimethoxy-
- 1-(2-Hydroxyethyl)-3,4-dimethoxybenzene
- 3,4-Dimethoxy-«beta»-phenethyl alcohol
- 3,4-Dimethoxyphenethanol
- Ethanol, 2-(3,4-dimethoxyphenyl)
- 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° | -220.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.239 | Crippen Calculated Property | |
| McVol | 145.610 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Inp | [1531.00; 1531.00] |
|
|
| Inp | 1531.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Tboil | 601.86 | K | Joback Calculated Property |
| Tc | 793.40 | K | Joback Calculated Property |
| Tfus | 359.20 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.82; 421.01] | J/mol×K | [601.86; 793.40] |
|
| Cp,gas | 358.82 | J/mol×K | 601.86 | Joback Calculated Property |
| Cp,gas | 370.51 | J/mol×K | 633.78 | Joback Calculated Property |
| Cp,gas | 381.67 | J/mol×K | 665.71 | Joback Calculated Property |
| Cp,gas | 392.30 | J/mol×K | 697.63 | Joback Calculated Property |
| Cp,gas | 402.40 | J/mol×K | 729.56 | Joback Calculated Property |
| Cp,gas | 411.97 | J/mol×K | 761.48 | Joback Calculated Property |
| Cp,gas | 421.01 | J/mol×K | 793.40 | Joback Calculated Property |
| η | [0.0000553; 0.0018895] | Pa×s | [359.20; 601.86] |
|
| η | 0.0018895 | Pa×s | 359.20 | Joback Calculated Property |
| η | 0.0007786 | Pa×s | 399.64 | Joback Calculated Property |
| η | 0.0003776 | Pa×s | 440.09 | Joback Calculated Property |
| η | 0.0002069 | Pa×s | 480.53 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 520.97 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 561.42 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 601.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethoxyphenethyl alcohol.
Sources
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