- InChI
- InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3
- InChI Key
- VZRUGPJUVWRHKM-UHFFFAOYSA-N
- Formula
- C14H32N2
- SMILES
- CCCCNCCCCCCNCCCC
- Molecular Weight1
- 228.42
- CAS
- 4835-11-4
- Other Names
-
- 1,6-Hexanediamine, N,N'-dibutyl-
- Dbhmd
- Dibutylhexamethylenediamine
- N,N'-Dibutyl-1,6-hexanediamine
- N,N'-Dibutylhexamethylenediamine
- N,N'-di-n-Butyl hexa methylene diamine
- N,N'-dibutylhexane-1,6-diamine
- 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 | 0.7564 | Relay (1.0) Calculated Property | |
| ΔfG° | 245.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.326 | Crippen Calculated Property | |
| McVol | 228.080 | ml/mol | McGowan Calculated Property |
| Pc | 1554.90 | kPa | Joback Calculated Property |
| Tboil | 563.12 | K | Relay (1.0) Calculated Property |
| Tc | 723.28 | K | Relay (1.0) Calculated Property |
| Tfus | 279.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.877 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.84; 815.38] | 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 | -1.22580e+01 | |||
| Coefficient B | 1.48624e+00 | |||
| Coefficient C | -8.35000e-04 | |||
| Coefficient D | 1.76400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 416.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 490.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 556.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 614.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 665.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 711.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 750.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 785.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 815.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N,N'-di-n-Butyl-1,6-hexanediamine.
Sources
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