- InChI
- InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2
- InChI Key
- ZILSBZLQGRBMOR-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- NCc1ccc2c(c1)OCO2
- Molecular Weight1
- 151.16
- CAS
- 2620-50-0
- Other Names
-
- 3,4-Methylenedioxybenzylamine
- 1,3-Benzodioxole-5-methanamine
- benzo-1,3-dioxole-5-methylamine
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5407 | Relay (... Calculated Property | |
| ΔfG° | 72.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.78 | kJ/mol | Relay (... Calculated Property |
| IE | 7.83 | eV | Relay (... Calculated Property |
| log10WS | -1.61 | Relay (... Calculated Property | |
| logPoct/wat | 0.874 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 4546.92 | kPa | Joback Calculated Property |
| Tboil | 525.38 | K | Relay (... Calculated Property |
| Tc | 778.64 | K | Relay (... Calculated Property |
| Tfus | 305.47 | K | Relay (... Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.57; 322.61] | J/mol×K | [556.92; 795.93] | 
|
| Cp,gas | 265.57 | J/mol×K | 556.92 | Joback Calculated Property |
| Cp,gas | 277.04 | J/mol×K | 596.76 | Joback Calculated Property |
| Cp,gas | 287.63 | J/mol×K | 636.59 | Joback Calculated Property |
| Cp,gas | 297.42 | J/mol×K | 676.43 | Joback Calculated Property |
| Cp,gas | 306.46 | J/mol×K | 716.26 | Joback Calculated Property |
| Cp,gas | 314.83 | J/mol×K | 756.10 | Joback Calculated Property |
| Cp,gas | 322.61 | J/mol×K | 795.93 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 411.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Piperonylamine.
Sources
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