- InChI
- InChI=1S/C14H29NO/c1-4-7-10-11-14(16)15(12-8-5-2)13-9-6-3/h4-13H2,1-3H3
- InChI Key
- UXSDBOJDRMUQDM-UHFFFAOYSA-N
- Formula
- C14H29NO
- SMILES
- CCCCCC(=O)N(CCCC)CCCC
- Molecular Weight1
- 227.39
- CAS
- 52868-51-6
- Other Names
-
- N,N-Dibutyl caproamide
- N,N-Dibutylhexanamide
- 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).
- I : 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 | 0.7204 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.996 | Crippen Calculated Property | |
| McVol | 219.670 | ml/mol | McGowan Calculated Property |
| Pc | 1598.72 | kPa | Joback Calculated Property |
| I | [2869.00; 2869.00] |
|
|
| I | 2869.00 | NIST | |
| I | 2869.00 | NIST | |
| Tboil | 547.25 | K | Relay (1.0) Calculated Property |
| Tc | 731.37 | K | Relay (1.0) Calculated Property |
| Tfus | 254.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.06; 670.31] | J/mol×K | [586.03; 752.99] |
|
| Cp,gas | 576.06 | J/mol×K | 586.03 | Joback Calculated Property |
| Cp,gas | 593.60 | J/mol×K | 613.86 | Joback Calculated Property |
| Cp,gas | 610.38 | J/mol×K | 641.68 | Joback Calculated Property |
| Cp,gas | 626.41 | J/mol×K | 669.51 | Joback Calculated Property |
| Cp,gas | 641.73 | J/mol×K | 697.34 | Joback Calculated Property |
| Cp,gas | 656.35 | J/mol×K | 725.16 | Joback Calculated Property |
| Cp,gas | 670.31 | J/mol×K | 752.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanamide, N,N-dibutyl-.
Sources
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