- InChI
- InChI=1S/C11H16O3/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8,12H,3-4,7H2,1-2H3
- InChI Key
- ZISWRXJZUKDIOO-UHFFFAOYSA-N
- Formula
- C11H16O3
- SMILES
- COc1ccc(CCCO)cc1OC
- Molecular Weight1
- 196.24
- CAS
- 3929-47-3
- Other Names
-
- Benzenepropanol, 3,4-dimethoxy-
- 1-Propanol, 3-(3,4-dimethoxyphenyl)
- 3-(3,4-dimethoxyphenyl)propanol
- 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° | -211.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 1.629 | Crippen Calculated Property | |
| McVol | 159.700 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Inp | 1661.00 | NIST | |
| Tboil | 624.74 | K | Joback Calculated Property |
| Tc | 814.16 | K | Joback Calculated Property |
| Tfus | 370.47 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.36; 473.39] | J/mol×K | [624.74; 814.16] | 
|
| Cp,gas | 407.36 | J/mol×K | 624.74 | Joback Calculated Property |
| Cp,gas | 419.81 | J/mol×K | 656.31 | Joback Calculated Property |
| Cp,gas | 431.68 | J/mol×K | 687.88 | Joback Calculated Property |
| Cp,gas | 442.97 | J/mol×K | 719.45 | Joback Calculated Property |
| Cp,gas | 453.69 | J/mol×K | 751.02 | Joback Calculated Property |
| Cp,gas | 463.83 | J/mol×K | 782.59 | Joback Calculated Property |
| Cp,gas | 473.39 | J/mol×K | 814.16 | Joback Calculated Property |
| η | [0.0000468; 0.0016473] | Pa×s | [370.47; 624.74] |
|
| η | 0.0016473 | Pa×s | 370.47 | Joback Calculated Property |
| η | 0.0006711 | Pa×s | 412.85 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 455.23 | Joback Calculated Property |
| η | 0.0001762 | Pa×s | 497.61 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 539.98 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 582.36 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 624.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(3,4-Dimethoxyphenyl)-1-propanol.
Sources
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