- InChI
- InChI=1S/C12H27N/c1-4-7-8-9-10-11-12-13(5-2)6-3/h4-12H2,1-3H3
- InChI Key
- BVUGARXRRGZONH-UHFFFAOYSA-N
- Formula
- C12H27N
- SMILES
- CCCCCCCCN(CC)CC
- Molecular Weight1
- 185.36
- CAS
- 4088-37-3
- Other Names
-
- diethyloctylamine
- 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 | 0.5635 | Relay (1.0) Calculated Property | |
| ΔfG° | 160.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.689 | Crippen Calculated Property | |
| McVol | 189.920 | ml/mol | McGowan Calculated Property |
| Pc | 1777.34 | kPa | Joback Calculated Property |
| Inp | [1244.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Tboil | 487.39 | K | Relay (1.0) Calculated Property |
| Tc | 653.21 | K | Relay (1.0) Calculated Property |
| Tfus | 210.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.56; 676.45] | 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 | -1.87110e+01 | |||
| Coefficient B | 1.26776e+00 | |||
| Coefficient C | -7.41600e-04 | |||
| Coefficient D | 1.69000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 275.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 344.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 460.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 509.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 552.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 589.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 622.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 651.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 676.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [370.92; 522.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50905e+01 | |||
| Coefficient B | -4.36123e+03 | |||
| Coefficient C | -7.63000e+01 | |||
| Temperature range, min. | 370.92 | |||
| Temperature range, max. | 522.28 | |||
| Pvap | 1.33 | kPa | 370.92 | Calculated Property |
| Pvap | 2.97 | kPa | 387.74 | Calculated Property |
| Pvap | 6.08 | kPa | 404.56 | Calculated Property |
| Pvap | 11.61 | kPa | 421.37 | Calculated Property |
| Pvap | 20.89 | kPa | 438.19 | Calculated Property |
| Pvap | 35.67 | kPa | 455.01 | Calculated Property |
| Pvap | 58.21 | kPa | 471.83 | Calculated Property |
| Pvap | 91.27 | kPa | 488.64 | Calculated Property |
| Pvap | 138.14 | kPa | 505.46 | Calculated Property |
| Pvap | 202.66 | kPa | 522.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Octanamine, 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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