- InChI
- InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
- InChI Key
- KYCGURZGBKFEQB-UHFFFAOYSA-N
- Formula
- C11H26N2
- SMILES
- CCCCN(CCCC)CCCN
- Molecular Weight1
- 186.34
- Other Names
-
- 1,3-Propanediamine, N1,N1-dibutyl-
- 3-(Dibutylamino)-n-propylamine
- 3-(Dibutylamino)propylamine
- 3-(di-Normal-butylamino)-propylamine
- 3-aminopropyldibutylamine
- N,N-Dibutyl-1,3-propanediamine
- N,N-Dibutylaminopropylamine
- N,N-Dibutyltrimethylenediamine
- N,N-di-n-Butyl-1,3-propanediamine
- NSC 6333
- 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 | 0.6435 | Relay (1.0) Calculated Property | |
| ΔfG° | 218.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.237 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Tboil | 478.20 | K | NIST |
| Tc | 677.88 | K | Relay (1.0) Calculated Property |
| Tfus | 203.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.72; 660.83] | 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 | -1.13110e+01 | |||
| Coefficient B | 1.23464e+00 | |||
| Coefficient C | -7.30600e-04 | |||
| Coefficient D | 1.68100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 274.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 401.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 453.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 500.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 541.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 577.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 609.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 636.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 660.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediamine, N,N-dibutyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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