- InChI
- InChI=1S/C15H30N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-12,14-15H2,1H3
- InChI Key
- DKRQDOPNZFOLQD-UHFFFAOYSA-N
- Formula
- C15H30N2
- SMILES
- CCCCCCCCCCCCNCCC#N
- Molecular Weight1
- 238.41
- CAS
- 4763-40-0
- Other Names
-
- 3-(dodecylamino)propiononitrile
- 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).
- 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 | 0.8248 | Relay (1.0) Calculated Property | |
| ΔfG° | 297.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -168.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.411 | Crippen Calculated Property | |
| McVol | 233.570 | ml/mol | McGowan Calculated Property |
| Pc | 1402.74 | kPa | Joback Calculated Property |
| Tboil | 609.20 | K | Relay (1.0) Calculated Property |
| Tc | 798.46 | K | Relay (1.0) Calculated Property |
| Tfus | 296.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.897 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.25; 806.56] | 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 | 5.04300e+00 | |||
| Coefficient B | 1.43982e+00 | |||
| Coefficient C | -8.09800e-04 | |||
| Coefficient D | 1.71500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 341.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 420.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 491.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 555.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 611.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 661.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 705.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 744.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 777.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 806.56 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(dodecylamino)-.
Sources
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