- InChI
- InChI=1S/C7H15N/c1-4-7-8(5-2)6-3/h4H,1,5-7H2,2-3H3
- InChI Key
- JWAJUTZQGZBKFS-UHFFFAOYSA-N
- Formula
- C7H15N
- SMILES
- C=CCN(CC)CC
- Molecular Weight1
- 113.20
- CAS
- 5666-17-1
- Other Names
-
- 2-Propen-1-amine, N,N-diethyl-
- Allyldiethylamine
- N-Allyldiethylamine
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.2898 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.514 | Crippen Calculated Property | |
| McVol | 115.170 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | [751.00; 751.00] |
|
|
| Inp | 751.00 | NIST | |
| Inp | 751.00 | NIST | |
| Tboil | 336.50 ± 0.50 | K | NIST |
| Tc | 551.00 | K | Relay (1.0) Calculated Property |
| Tfus | 157.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.405 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.68; 389.98] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.71570e+01 | |||
| Coefficient B | 7.72740e-01 | |||
| Coefficient C | -4.92500e-04 | |||
| Coefficient D | 1.26900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 267.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 295.35 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 319.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 340.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 359.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 375.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 389.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [249.20; 421.84] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.15534e+01 | |||
| Coefficient B | -2.41655e+03 | |||
| Coefficient C | -3.46970e+01 | |||
| Temperature range, min. | 249.20 | |||
| Temperature range, max. | 421.84 | |||
| Pvap | 1.33 | kPa | 249.20 | Calculated Property |
| Pvap | 3.36 | kPa | 268.38 | Calculated Property |
| Pvap | 7.37 | kPa | 287.56 | Calculated Property |
| Pvap | 14.45 | kPa | 306.75 | Calculated Property |
| Pvap | 25.94 | kPa | 325.93 | Calculated Property |
| Pvap | 43.31 | kPa | 345.11 | Calculated Property |
| Pvap | 68.14 | kPa | 364.29 | Calculated Property |
| Pvap | 101.98 | kPa | 383.48 | Calculated Property |
| Pvap | 146.35 | kPa | 402.66 | Calculated Property |
| Pvap | 202.63 | kPa | 421.84 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N-DIETHYLALLYLAMINE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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