- 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
- CAS
- 6921-28-4
- 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 (... 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 (... Calculated Property |
| ΔfH°liquid | 429.70 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 22.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.65 | eV | Relay (... Calculated Property |
| log10WS | -0.37 | Relay (... 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 (... Calculated Property |
| Tc | 578.16 | K | Relay (... Calculated Property |
| Tfus | 263.88 | K | Relay (... Calculated Property |
| Vc | 0.293 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.54; 194.42] | J/mol×K | [367.09; 562.91] | 
|
| Cp,gas | 152.54 | J/mol×K | 367.09 | Joback Calculated Property |
| Cp,gas | 160.59 | J/mol×K | 399.73 | Joback Calculated Property |
| Cp,gas | 168.18 | J/mol×K | 432.36 | Joback Calculated Property |
| Cp,gas | 175.33 | J/mol×K | 465.00 | Joback Calculated Property |
| Cp,gas | 182.08 | J/mol×K | 497.63 | Joback Calculated Property |
| Cp,gas | 188.43 | J/mol×K | 530.27 | Joback Calculated Property |
| Cp,gas | 194.42 | J/mol×K | 562.91 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 336.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Propyn-1-amine, N-2-propynyl-.
Sources
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