- InChI
- InChI=1S/C12H16O2/c1-4-5-6-10-7-8-11(13-2)12(9-10)14-3/h5-9H,4H2,1-3H3/b6-5+
- InChI Key
- BONZIDALUXBFRW-AATRIKPKSA-N
- Formula
- C12H16O2
- SMILES
- CCC=Cc1ccc(OC)c(OC)c1
- Molecular Weight1
- 192.25
- Other Names
-
- (E)-1-(3',4'-Dimethoxyphenyl)but-1-ene
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5325 | Relay (... Calculated Property | |
| ΔfG° | 13.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.65 | kJ/mol | Relay (... Calculated Property |
| IE | 7.58 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 3.127 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | [1612.00; 1616.00] |
|
|
| Inp | 1612.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Tboil | 539.76 | K | Relay (... Calculated Property |
| Tc | 732.09 | K | Relay (... Calculated Property |
| Tfus | 327.99 | K | Relay (... Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.73; 459.39] | J/mol×K | [559.60; 766.43] |
|
| Cp,gas | 379.73 | J/mol×K | 559.60 | Joback Calculated Property |
| Cp,gas | 394.80 | J/mol×K | 594.07 | Joback Calculated Property |
| Cp,gas | 409.14 | J/mol×K | 628.54 | Joback Calculated Property |
| Cp,gas | 422.75 | J/mol×K | 663.02 | Joback Calculated Property |
| Cp,gas | 435.66 | J/mol×K | 697.49 | Joback Calculated Property |
| Cp,gas | 447.87 | J/mol×K | 731.96 | Joback Calculated Property |
| Cp,gas | 459.39 | J/mol×K | 766.43 | Joback Calculated Property |
| η | [0.0001138; 0.0010224] | Pa×s | [315.84; 559.60] |
|
| η | 0.0010224 | Pa×s | 315.84 | Joback Calculated Property |
| η | 0.0005757 | Pa×s | 356.47 | Joback Calculated Property |
| η | 0.0003646 | Pa×s | 397.09 | Joback Calculated Property |
| η | 0.0002513 | Pa×s | 437.72 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 478.35 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 518.97 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 559.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-1-(3,4-dimethoxyphenyl)but-1-ene.
Sources
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