- InChI
- InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h5-6H2,1-3H3
- InChI Key
- RJSCZBRDRBIRHP-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- CC#CN(CC)CC
- Molecular Weight1
- 111.18
- CAS
- 4231-35-0
- Other Names
-
- N,N-diethyl-1-propynylamine
- 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° | 321.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 152.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.61 | Crippen Calculated Property | |
| logPoct/wat | 1.309 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [823.00; 823.00] |
|
|
| Inp | 823.00 | NIST | |
| Inp | 823.00 | NIST | |
| Tboil | 381.00 | K | Joback Calculated Property |
| Tc | 567.59 | K | Joback Calculated Property |
| Tfus | 307.22 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.46; 262.91] | J/mol×K | [381.00; 567.59] |
|
| Cp,gas | 198.46 | J/mol×K | 381.00 | Joback Calculated Property |
| Cp,gas | 210.44 | J/mol×K | 412.10 | Joback Calculated Property |
| Cp,gas | 221.91 | J/mol×K | 443.20 | Joback Calculated Property |
| Cp,gas | 232.87 | J/mol×K | 474.29 | Joback Calculated Property |
| Cp,gas | 243.35 | J/mol×K | 505.39 | Joback Calculated Property |
| Cp,gas | 253.35 | J/mol×K | 536.49 | Joback Calculated Property |
| Cp,gas | 262.91 | J/mol×K | 567.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl(1-propynyl)amine.
Sources
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