- InChI
- InChI=1S/C11H15NO2/c1-11(2,12)6-8-3-4-9-10(5-8)14-7-13-9/h3-5H,6-7,12H2,1-2H3
- InChI Key
- OIZBHKBNZXRXSM-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CC(C)(N)Cc1ccc2c(c1)OCO2
- Molecular Weight1
- 193.24
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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° | 100.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 1.695 | Crippen Calculated Property | |
| McVol | 152.950 | ml/mol | McGowan Calculated Property |
| Pc | 3257.86 | kPa | Joback Calculated Property |
| Inp | [1646.00; 1681.00] |
|
|
| Inp | 1646.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1646.00 | NIST | |
| I | [2379.00; 2379.00] |
|
|
| I | 2379.00 | NIST | |
| I | 2379.00 | NIST | |
| I | 2379.00 | NIST | |
| Tboil | 622.33 | K | Joback Calculated Property |
| Tc | 861.51 | K | Joback Calculated Property |
| Tfus | 426.19 | K | Joback Calculated Property |
| Vc | 0.561 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.60; 481.18] | J/mol×K | [622.33; 861.51] |
|
| Cp,gas | 408.60 | J/mol×K | 622.33 | Joback Calculated Property |
| Cp,gas | 423.21 | J/mol×K | 662.19 | Joback Calculated Property |
| Cp,gas | 436.66 | J/mol×K | 702.06 | Joback Calculated Property |
| Cp,gas | 449.08 | J/mol×K | 741.92 | Joback Calculated Property |
| Cp,gas | 460.56 | J/mol×K | 781.78 | Joback Calculated Property |
| Cp,gas | 471.23 | J/mol×K | 821.64 | Joback Calculated Property |
| Cp,gas | 481.18 | J/mol×K | 861.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Methylenedioxyphentermine.
Sources
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