- InChI
- InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
- InChI Key
- NGBBVGZWCFBOGO-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CC(N)Cc1ccc2c(c1)OCO2
- Molecular Weight1
- 179.22
- CAS
- 51497-09-7
- Other Names
-
- 3,4-Methylenedioxy-amphetamine
- MDA
- Phenethylamine, «alpha»-methyl-3,4-(methylenedioxy)-
- 1,3-Benzodioxole-5-ethanamine, «alpha»-methyl-
- Methylenedioxyamphetamine
- «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine
- (.+/-.)-3,4-Methylenedioxyamphetamine
- 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).
- 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° | 86.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.95 | kJ/mol | Joback Calculated Property |
| IE | 8.01 ± 0.06 | eV | NIST |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 1.305 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Pc | 3598.56 | kPa | Joback Calculated Property |
| Tboil | 602.24 | K | Joback Calculated Property |
| Tc | 836.85 | K | Joback Calculated Property |
| Tfus | 397.50 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.51; 425.71] | J/mol×K | [602.24; 836.85] | 
|
| Cp,gas | 357.51 | J/mol×K | 602.24 | Joback Calculated Property |
| Cp,gas | 371.07 | J/mol×K | 641.34 | Joback Calculated Property |
| Cp,gas | 383.66 | J/mol×K | 680.44 | Joback Calculated Property |
| Cp,gas | 395.34 | J/mol×K | 719.55 | Joback Calculated Property |
| Cp,gas | 406.20 | J/mol×K | 758.65 | Joback Calculated Property |
| Cp,gas | 416.30 | J/mol×K | 797.75 | Joback Calculated Property |
| Cp,gas | 425.71 | J/mol×K | 836.85 | Joback Calculated Property |
Similar Compounds
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Sources
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