- InChI
- InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3
- InChI Key
- ILBIXZPOMJFOJP-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- C#CCN(C)C
- Molecular Weight1
- 83.13
- CAS
- 7223-38-3
- Other Names
-
- N,N-Dimethyl-2-propyn-1-amine
- (CH3)2NCH2C«equiv»CH
- 1-Dimethylamino-2-propyne
- 3-Dimethylamino-1-propyne
- N,N-dimethyl propargylamine
- N-(2-Propynyl)-N,N-dimethylamine
- dimethyl(prop-2-ynyl)amine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- 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 | 940.30 | kJ/mol | NIST |
| BasG | 909.50 | kJ/mol | NIST |
| ΔcH°liquid | -3451.40 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 325.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 212.90 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | 197.60 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 14.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.62 | kJ/mol | Joback Calculated Property |
| IE | [8.17; 8.29] | eV |
|
| IE | 8.29 ± 0.03 | eV | NIST |
| IE | 8.17 | eV | NIST |
| IE | 8.22 ± 0.05 | eV | NIST |
| log10WS | -0.28 | Crippen Calculated Property | |
| logPoct/wat | 0.181 | Crippen Calculated Property | |
| McVol | 82.690 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Inp | 637.00 | NIST | |
| Tboil | [353.50; 355.00] | K |
|
| Tboil | 353.50 ± 0.50 | K | NIST |
| Tboil | 354.20 | K | NIST |
| Tboil | 355.00 | K | NIST |
| Tc | 490.04 | K | Joback Calculated Property |
| Tfus | 225.55 | K | Joback Calculated Property |
| Vc | 0.295 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.00; 177.37] | J/mol×K | [316.36; 490.04] |
|
| Cp,gas | 130.00 | J/mol×K | 316.36 | Joback Calculated Property |
| Cp,gas | 138.89 | J/mol×K | 345.31 | Joback Calculated Property |
| Cp,gas | 147.36 | J/mol×K | 374.25 | Joback Calculated Property |
| Cp,gas | 155.42 | J/mol×K | 403.20 | Joback Calculated Property |
| Cp,gas | 163.11 | J/mol×K | 432.15 | Joback Calculated Property |
| Cp,gas | 170.42 | J/mol×K | 461.10 | Joback Calculated Property |
| Cp,gas | 177.37 | J/mol×K | 490.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-amine, N,N-dimethyl-.
Sources
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