- InChI
- InChI=1S/C7H13N/c1-4-7(8,5-2)6-3/h1H,5-6,8H2,2-3H3
- InChI Key
- WHNOKDNCUNZBLW-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- C#CC(N)(CC)CC
- Molecular Weight1
- 111.18
- CAS
- 3234-64-8
- Other Names
-
- 1-Pentyn-3-amine, 3-ethyl-
- 1,1-Diethylproparagyl amine
- 3-ethylpent-1-yn-3-amine
- ω : Acentric Factor.
- 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).
- 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 | 0.2994 | Relay (1.0) Calculated Property | |
| ΔfG° | 300.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 127.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.137 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 3602.88 | kPa | Joback Calculated Property |
| Tboil | 399.07 | K | Relay (1.0) Calculated Property |
| Tc | 586.71 | K | Relay (1.0) Calculated Property |
| Tfus | 261.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.366 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.87; 289.04] | J/mol×K | [418.98; 623.67] | 
|
| Cp,gas | 224.87 | J/mol×K | 418.98 | Joback Calculated Property |
| Cp,gas | 237.36 | J/mol×K | 453.09 | Joback Calculated Property |
| Cp,gas | 249.08 | J/mol×K | 487.21 | Joback Calculated Property |
| Cp,gas | 260.07 | J/mol×K | 521.32 | Joback Calculated Property |
| Cp,gas | 270.36 | J/mol×K | 555.44 | Joback Calculated Property |
| Cp,gas | 280.00 | J/mol×K | 589.55 | Joback Calculated Property |
| Cp,gas | 289.04 | J/mol×K | 623.67 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 344.70 | K | 12.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1-Diethylpropargylamine.
Sources
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