- InChI
- InChI=1S/C14H28N2O2/c1-3-5-7-9-13(17)15-11-12-16-14(18)10-8-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
- InChI Key
- JUFADMDNFLYBPC-UHFFFAOYSA-N
- Formula
- C14H28N2O2
- SMILES
- CCCCCC(=O)NCCNC(=O)CCCCC
- Molecular Weight1
- 256.38
- CAS
- 50905-12-9
- Other Names
-
- N-[2-(1-oxohexylamino)ethyl]hexanamide
- 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 | 0.8556 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Aq. Solubility Prediction | |
| logPoct/wat | 2.379 | Crippen Calculated Property | |
| McVol | 231.220 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Tboil | 581.78 | K | Relay (1.0) Calculated Property |
| Tc | 802.44 | K | Relay (1.0) Calculated Property |
| Tfus | 451.00 ± 1.00 | K | NIST |
| Vc | 0.866 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.94; 762.77] | J/mol×K | [727.80; 909.95] | 
|
| Cp,gas | 681.94 | J/mol×K | 727.80 | Joback Calculated Property |
| Cp,gas | 697.34 | J/mol×K | 758.16 | Joback Calculated Property |
| Cp,gas | 711.93 | J/mol×K | 788.52 | Joback Calculated Property |
| Cp,gas | 725.74 | J/mol×K | 818.87 | Joback Calculated Property |
| Cp,gas | 738.80 | J/mol×K | 849.23 | Joback Calculated Property |
| Cp,gas | 751.14 | J/mol×K | 879.59 | Joback Calculated Property |
| Cp,gas | 762.77 | J/mol×K | 909.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, (2-hexanoylaminoethyl)-amide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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