- InChI
- InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3
- InChI Key
- JZJXKEWVUBVOEH-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- C#CCN(CC)CC
- Molecular Weight1
- 111.18
- CAS
- 4079-68-9
- Other Names
-
- 2-Propynylamine, N,N-diethyl-
- Diethylpropargylamine
- N,N-Diethyl-2-propynylamine
- N,N-Diethylpropargylamine
- 1-N,N-Diethylamino-2-propyne
- 3-(Diethylamino)propyne
- 3-(N,N-Diethylamino)propyne
- 1-Diethylaminopropyne-2
- 3-Diethylamino-1-propyne
- 1-Diethylamino-2-propyne
- NSC 63868
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 341.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 171.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.08 | kJ/mol | Joback Calculated Property |
| log10WS | -1.12 | Crippen Calculated Property | |
| logPoct/wat | 0.961 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | [757.00; 757.00] |
|
|
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Tboil | 362.12 | K | Joback Calculated Property |
| Tc | 536.13 | K | Joback Calculated Property |
| Tfus | 248.09 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.70; 260.18] | J/mol×K | [362.12; 536.13] |
|
| Cp,gas | 197.70 | J/mol×K | 362.12 | Joback Calculated Property |
| Cp,gas | 209.38 | J/mol×K | 391.12 | Joback Calculated Property |
| Cp,gas | 220.53 | J/mol×K | 420.12 | Joback Calculated Property |
| Cp,gas | 231.16 | J/mol×K | 449.13 | Joback Calculated Property |
| Cp,gas | 241.30 | J/mol×K | 478.13 | Joback Calculated Property |
| Cp,gas | 250.97 | J/mol×K | 507.13 | Joback Calculated Property |
| Cp,gas | 260.18 | J/mol×K | 536.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-amine, N,N-diethyl-.
Sources
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