- InChI
- InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2
- InChI Key
- XGNXYCFREOZBOL-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- Nc1ccc2c(c1)OCO2
- Molecular Weight1
- 137.14
- CAS
- 14268-66-7
- Other Names
-
- 3,4-(Methylenedioxy)-aniline
- Aniline, 3,4-(methylenedioxy)-
- 1-Amino-3,4-dimethylenedioxybenzene
- 1-Amino-3,4-methylenedioxybenzene
- 4-Amino-1,2-methylenedioxybenzene
- 5-Amino-1,3-benzodioxole
- 5-Aminobenzodioxole
- 1,2-(Methylenedioxy)-4-aminobenzene
- NSC 155176
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 63.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.66 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 0.997 | Crippen Calculated Property | |
| McVol | 96.590 | ml/mol | McGowan Calculated Property |
| Pc | 5198.13 | kPa | Joback Calculated Property |
| Tboil | 534.04 | K | Joback Calculated Property |
| Tc | 778.02 | K | Joback Calculated Property |
| Tfus | 378.69 | K | Joback Calculated Property |
| Vc | 0.348 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.44; 273.50] | J/mol×K | [534.04; 778.02] | 
|
| Cp,gas | 222.44 | J/mol×K | 534.04 | Joback Calculated Property |
| Cp,gas | 232.83 | J/mol×K | 574.70 | Joback Calculated Property |
| Cp,gas | 242.37 | J/mol×K | 615.37 | Joback Calculated Property |
| Cp,gas | 251.14 | J/mol×K | 656.03 | Joback Calculated Property |
| Cp,gas | 259.21 | J/mol×K | 696.69 | Joback Calculated Property |
| Cp,gas | 266.64 | J/mol×K | 737.35 | Joback Calculated Property |
| Cp,gas | 273.50 | J/mol×K | 778.02 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 417.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Benzodioxol-5-amine.
Sources
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