- InChI
- InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
- InChI Key
- DYUWTXWIYMHBQS-UHFFFAOYSA-N
- Formula
- C6H11N
- SMILES
- C=CCNCC=C
- Molecular Weight1
- 97.16
- CAS
- 124-02-7
- Other Names
-
- Diallylamine
- Di-2-propenylamine
- (CH2=CHCH2)2NH
- UN 2359
- N,N-Di(2-propenyl)amine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| PAff | 949.30 | kJ/mol | NIST |
| BasG | 916.30 | kJ/mol | NIST |
| ΔfG° | 264.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 137.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.05 | kJ/mol | Joback Calculated Property |
| IE | [8.20; 8.80] | eV |
|
| IE | 8.20 | eV | NIST |
| IE | 8.80 ± 0.30 | eV | NIST |
| IE | 8.79 | eV | NIST |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.948 | Crippen Calculated Property | |
| McVol | 96.780 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Inp | [660.00; 660.00] |
|
|
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 660.00 | NIST | |
| Tboil | 384.20 | K | NIST |
| Tc | 557.28 | K | Joback Calculated Property |
| Tfus | 206.52 | K | Joback Calculated Property |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.58; 225.15] | J/mol×K | [380.21; 557.28] |
|
| Cp,gas | 170.58 | J/mol×K | 380.21 | Joback Calculated Property |
| Cp,gas | 180.78 | J/mol×K | 409.72 | Joback Calculated Property |
| Cp,gas | 190.52 | J/mol×K | 439.23 | Joback Calculated Property |
| Cp,gas | 199.81 | J/mol×K | 468.74 | Joback Calculated Property |
| Cp,gas | 208.67 | J/mol×K | 498.25 | Joback Calculated Property |
| Cp,gas | 217.11 | J/mol×K | 527.77 | Joback Calculated Property |
| Cp,gas | 225.15 | J/mol×K | 557.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-amine, N-2-propenyl-.
Sources
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