- InChI
- InChI=1S/C12H14O/c1-2-3-8-12-11-7-5-4-6-10(11)9-13-12/h4-8H,2-3,9H2,1H3/b12-8-
- InChI Key
- QBNJDEITTLPXMX-WQLSENKSSA-N
- Formula
- C12H14O
- SMILES
- CCCC=C1OCc2ccccc21
- Molecular Weight1
- 174.24
- 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° | 180.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.358 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Pc | 2856.62 | kPa | Joback Calculated Property |
| Inp | 1657.00 | NIST | |
| Tboil | 550.62 | K | Joback Calculated Property |
| Tc | 772.27 | K | Joback Calculated Property |
| Tfus | 323.05 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.99; 420.87] | J/mol×K | [550.62; 772.27] | 
|
| Cp,gas | 343.99 | J/mol×K | 550.62 | Joback Calculated Property |
| Cp,gas | 359.14 | J/mol×K | 587.56 | Joback Calculated Property |
| Cp,gas | 373.25 | J/mol×K | 624.50 | Joback Calculated Property |
| Cp,gas | 386.40 | J/mol×K | 661.44 | Joback Calculated Property |
| Cp,gas | 398.67 | J/mol×K | 698.38 | Joback Calculated Property |
| Cp,gas | 410.14 | J/mol×K | 735.32 | Joback Calculated Property |
| Cp,gas | 420.87 | J/mol×K | 772.27 | Joback Calculated Property |
| η | [0.0003646; 0.0018518] | Pa×s | [323.05; 550.62] |
|
| η | 0.0018518 | Pa×s | 323.05 | Joback Calculated Property |
| η | 0.0012251 | Pa×s | 360.98 | Joback Calculated Property |
| η | 0.0008767 | Pa×s | 398.91 | Joback Calculated Property |
| η | 0.0006650 | Pa×s | 436.84 | Joback Calculated Property |
| η | 0.0005271 | Pa×s | 474.76 | Joback Calculated Property |
| η | 0.0004325 | Pa×s | 512.69 | Joback Calculated Property |
| η | 0.0003646 | Pa×s | 550.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3n- butylidene phthalide.
Sources
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