- InChI
- InChI=1S/C21H42N2O2/c1-5-7-9-11-14-18(3)22-20(24)16-13-17-21(25)23-19(4)15-12-10-8-6-2/h18-19H,5-17H2,1-4H3,(H,22,24)(H,23,25)
- InChI Key
- LAVRLBDAWQPSSN-UHFFFAOYSA-N
- Formula
- C21H42N2O2
- SMILES
-
CCCCCCC(C)NC(=O)CCCC(=O)NC(C)C
CCCCC - Molecular Weight1
- 354.58
- 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 | 1.0135 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.107 | Crippen Calculated Property | |
| McVol | 329.850 | ml/mol | McGowan Calculated Property |
| Pc | 1063.79 | kPa | Joback Calculated Property |
| Tboil | 611.09 | K | Relay (1.0) Calculated Property |
| Tc | 851.24 | K | Relay (1.0) Calculated Property |
| Tfus | 350.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.227 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1097.51; 1191.96] | J/mol×K | [887.08; 1086.25] | 
|
| Cp,gas | 1097.51 | J/mol×K | 887.08 | Joback Calculated Property |
| Cp,gas | 1115.95 | J/mol×K | 920.27 | Joback Calculated Property |
| Cp,gas | 1133.23 | J/mol×K | 953.47 | Joback Calculated Property |
| Cp,gas | 1149.42 | J/mol×K | 986.66 | Joback Calculated Property |
| Cp,gas | 1164.57 | J/mol×K | 1019.86 | Joback Calculated Property |
| Cp,gas | 1178.73 | J/mol×K | 1053.05 | Joback Calculated Property |
| Cp,gas | 1191.96 | J/mol×K | 1086.25 | Joback Calculated Property |
Similar Compounds
![PYRROLIDIN-2-ONE, 5-[2-BUTYRYLETHYL]-.](data:image/png;base64,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)
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Sources
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