- InChI
- InChI=1S/C13H17N/c1-3-14(4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,12H2,1-2H3
- InChI Key
- NGTMXVYXKKHDPO-UHFFFAOYSA-N
- Formula
- C13H17N
- SMILES
- CCN(CC)CC#Cc1ccccc1
- Molecular Weight1
- 187.28
- CAS
- 22396-72-1
- Other Names
-
- 2-Propynylamine, N,N-diethyl-3-phenyl-
- N,N-Diethyl-3-phenyl-2-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).
- 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 |
|---|---|---|---|
| ΔfG° | 484.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 264.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.380 | Crippen Calculated Property | |
| McVol | 171.650 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Tboil | 544.96 | K | Joback Calculated Property |
| Tc | 763.78 | K | Joback Calculated Property |
| Tfus | 401.26 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.74; 483.98] | J/mol×K | [544.96; 763.78] | 
|
| Cp,gas | 393.74 | J/mol×K | 544.96 | Joback Calculated Property |
| Cp,gas | 411.34 | J/mol×K | 581.43 | Joback Calculated Property |
| Cp,gas | 427.84 | J/mol×K | 617.90 | Joback Calculated Property |
| Cp,gas | 443.30 | J/mol×K | 654.37 | Joback Calculated Property |
| Cp,gas | 457.78 | J/mol×K | 690.84 | Joback Calculated Property |
| Cp,gas | 471.32 | J/mol×K | 727.31 | Joback Calculated Property |
| Cp,gas | 483.98 | J/mol×K | 763.78 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 418.50 ± 0.50 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 3-Diethylamino-1-phenylpropyne.
Sources
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