- InChI
- InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h5-6,8-9,11-12H,4,7,10,13-20H2,1-3H3/b6-5-,9-8-,12-11-
- InChI Key
- HOXFPHDQNBUELG-AGRJPVHOSA-N
- Formula
- C22H37NO
- SMILES
-
CCC=CCC=CCC=CCCCCCCCC1=NC(C)(C
)CO1 - Molecular Weight1
- 331.54
- 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).
- Inp : Non-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 | 0.6691 | Relay (... Calculated Property | |
| ΔfG° | 457.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.76 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.00 | eV | Relay (... Calculated Property |
| log10WS | -5.78 | Relay (... Calculated Property | |
| logPoct/wat | 6.783 | Crippen Calculated Property | |
| McVol | 308.630 | ml/mol | McGowan Calculated Property |
| Pc | 1160.08 | kPa | Joback Calculated Property |
| Inp | 2303.80 | NIST | |
| Tboil | 612.33 | K | Relay (... Calculated Property |
| Tc | 817.30 | K | Relay (... Calculated Property |
| Tfus | 289.18 | K | Relay (... Calculated Property |
| Vc | 1.092 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.97; 1103.83] | J/mol×K | [815.55; 1018.58] | 
|
| Cp,gas | 981.97 | J/mol×K | 815.55 | Joback Calculated Property |
| Cp,gas | 1003.41 | J/mol×K | 849.39 | Joback Calculated Property |
| Cp,gas | 1024.21 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 1044.50 | J/mol×K | 917.06 | Joback Calculated Property |
| Cp,gas | 1064.43 | J/mol×K | 950.90 | Joback Calculated Property |
| Cp,gas | 1084.16 | J/mol×K | 984.74 | Joback Calculated Property |
| Cp,gas | 1103.83 | J/mol×K | 1018.58 | Joback Calculated Property |
Similar Compounds
Sources
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