- InChI
- InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2
- InChI Key
- RGSODMOUXWISAG-UHFFFAOYSA-N
- Formula
- C6H7N
- SMILES
- C#CCNCC#C
- Molecular Weight1
- 93.13
- Other Names
-
- Di-2-propynylamine
- Dipropargylamine
- (HC«equiv»CCH2)2NH
- ω : Acentric Factor.
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.2641 | Relay (1.0) Calculated Property | |
| PAff | 910.00 | kJ/mol | NIST |
| BasG | 876.90 | kJ/mol | NIST |
| ΔfG° | 535.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 389.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | 429.70 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 22.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.158 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Pc | 4534.68 | kPa | Joback Calculated Property |
| Tboil | 421.14 | K | Relay (1.0) Calculated Property |
| Tc | 580.48 | K | Relay (1.0) Calculated Property |
| Tfus | 260.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.294 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 336.70 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.58; 250.40] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.37820e+01 | |||
| Coefficient B | 4.62200e-01 | |||
| Coefficient C | -3.43060e-04 | |||
| Coefficient D | 1.07480e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 126.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 168.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 185.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 200.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 212.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 223.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 233.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 242.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 250.40 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-amine, N-2-propynyl-.
Sources
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