- InChI
- InChI=1S/C16H18O/c1-17-16-12-6-11-15(13-16)10-5-9-14-7-3-2-4-8-14/h2-4,6-8,11-13H,5,9-10H2,1H3
- InChI Key
- NKQJUHNXDRPZFM-UHFFFAOYSA-N
- Formula
- C16H18O
- SMILES
- COc1cccc(CCCc2ccccc2)c1
- Molecular Weight1
- 226.31
- CAS
- 67081-95-2
- Other Names
-
- 1-Phenyl-3-(3-methoxyphenyl)propane
- 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).
- IE : Ionization energy (eV).
- 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).
- 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° | 194.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.83 | kJ/mol | Joback Calculated Property |
| IE | 8.20 ± 0.50 | eV | NIST |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 194.650 | ml/mol | McGowan Calculated Property |
| Pc | 2216.62 | kPa | Joback Calculated Property |
| Tboil | 646.24 | K | Joback Calculated Property |
| Tc | 873.99 | K | Joback Calculated Property |
| Tfus | 357.67 | K | Joback Calculated Property |
| Vc | 0.734 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.17; 589.11] | J/mol×K | [646.24; 873.99] | 
|
| Cp,gas | 499.17 | J/mol×K | 646.24 | Joback Calculated Property |
| Cp,gas | 517.03 | J/mol×K | 684.20 | Joback Calculated Property |
| Cp,gas | 533.68 | J/mol×K | 722.16 | Joback Calculated Property |
| Cp,gas | 549.17 | J/mol×K | 760.12 | Joback Calculated Property |
| Cp,gas | 563.53 | J/mol×K | 798.08 | Joback Calculated Property |
| Cp,gas | 576.83 | J/mol×K | 836.03 | Joback Calculated Property |
| Cp,gas | 589.11 | J/mol×K | 873.99 | Joback Calculated Property |
| η | [0.0001186; 0.0013617] | Pa×s | [357.67; 646.24] |
|
| η | 0.0013617 | Pa×s | 357.67 | Joback Calculated Property |
| η | 0.0007124 | Pa×s | 405.76 | Joback Calculated Property |
| η | 0.0004276 | Pa×s | 453.86 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 501.96 | Joback Calculated Property |
| η | 0.0002014 | Pa×s | 550.05 | Joback Calculated Property |
| η | 0.0001513 | Pa×s | 598.14 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 646.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene,1-methoxy-3-(3-phenylpropyl)-.
Sources
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