- InChI
- InChI=1S/C7H17N/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3
- InChI Key
- PQZTVWVYCLIIJY-UHFFFAOYSA-N
- Formula
- C7H17N
- SMILES
- CCCN(CC)CC
- Molecular Weight1
- 115.22
- CAS
- 4458-31-5
- Other Names
-
- (C2H5)2(n-C3H7)N
- Diethyl-n-propylamine
- Diethylpropylamine
- Ethanamine, N-ethyl-N-propyl-
- N,N-Diethyl-n-propylamine
- N-(n-Propyl)diethylamine
- Propylamine, N,N-diethyl-
- n-Propanamine, N,N-diethyl-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.3537 | Relay (1.0) Calculated Property | |
| PAff | 978.80 | kJ/mol | NIST |
| BasG | 947.90 | kJ/mol | NIST |
| ΔfG° | 118.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -128.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | NIST |
| log10WS | -0.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 119.470 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | [750.00; 753.00] |
|
|
| Inp | Outlier 753.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 750.00 | NIST | |
| Tboil | [385.20; 404.15] | K |
|
| Tboil | 385.20 ± 1.00 | K | NIST |
| Tboil | 404.15 ± 2.00 | K | NIST |
| Tc | 550.32 | K | Relay (1.0) Calculated Property |
| Tfus | 161.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.49; 418.49] | 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 | -1.41660e+01 | |||
| Coefficient B | 7.92760e-01 | |||
| Coefficient C | -4.69600e-04 | |||
| Coefficient D | 1.09500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 212.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 284.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 341.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 384.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 402.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 418.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [290.12; 407.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56364e+01 | |||
| Coefficient B | -3.71285e+03 | |||
| Coefficient C | -4.82220e+01 | |||
| Temperature range, min. | 290.12 | |||
| Temperature range, max. | 407.82 | |||
| Pvap | 1.33 | kPa | 290.12 | Calculated Property |
| Pvap | 2.93 | kPa | 303.20 | Calculated Property |
| Pvap | 5.96 | kPa | 316.28 | Calculated Property |
| Pvap | 11.35 | kPa | 329.35 | Calculated Property |
| Pvap | 20.42 | kPa | 342.43 | Calculated Property |
| Pvap | 34.94 | kPa | 355.51 | Calculated Property |
| Pvap | 57.22 | kPa | 368.59 | Calculated Property |
| Pvap | 90.15 | kPa | 381.66 | Calculated Property |
| Pvap | 137.24 | kPa | 394.74 | Calculated Property |
| Pvap | 202.64 | kPa | 407.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanamine, N,N-diethyl-.
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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