- InChI
- InChI=1S/C12H12O2/c1-3-9-7-10-5-4-6-14-12(10)8-11(9)13-2/h3-5,7-8H,1,6H2,2H3
- InChI Key
- NQHVGEQCFZFRTI-UHFFFAOYSA-N
- Formula
- C12H12O2
- SMILES
- C=Cc1cc2c(cc1OC)OCC=C2
- Molecular Weight1
- 188.22
- 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).
- 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° | 116.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.744 | Crippen Calculated Property | |
| McVol | 148.460 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 576.47 | K | Joback Calculated Property |
| Tc | 805.20 | K | Joback Calculated Property |
| Tfus | 355.44 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.88; 421.87] | J/mol×K | [576.47; 805.20] | 
|
| Cp,gas | 348.88 | J/mol×K | 576.47 | Joback Calculated Property |
| Cp,gas | 363.21 | J/mol×K | 614.59 | Joback Calculated Property |
| Cp,gas | 376.61 | J/mol×K | 652.71 | Joback Calculated Property |
| Cp,gas | 389.13 | J/mol×K | 690.83 | Joback Calculated Property |
| Cp,gas | 400.82 | J/mol×K | 728.95 | Joback Calculated Property |
| Cp,gas | 411.71 | J/mol×K | 767.08 | Joback Calculated Property |
| Cp,gas | 421.87 | J/mol×K | 805.20 | Joback Calculated Property |
| η | [0.0002638; 0.0012649] | Pa×s | [355.44; 576.47] |
|
| η | 0.0012649 | Pa×s | 355.44 | Joback Calculated Property |
| η | 0.0008616 | Pa×s | 392.28 | Joback Calculated Property |
| η | 0.0006269 | Pa×s | 429.12 | Joback Calculated Property |
| η | 0.0004796 | Pa×s | 465.96 | Joback Calculated Property |
| η | 0.0003817 | Pa×s | 502.79 | Joback Calculated Property |
| η | 0.0003133 | Pa×s | 539.63 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 576.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Androencecalinol.
Sources
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