- InChI
- InChI=1S/C26H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-26(2,3)24-28-25/h5-6,8-9,11-12,14-15,17-18,20-21H,4,7,10,13,16,19,22-24H2,1-3H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
- InChI Key
- BMZQUTWWFFVVNK-YNUSHXQLSA-N
- Formula
- C26H39NO
- SMILES
-
CCC=CCC=CCC=CCC=CCC=CCC=CCCC1=
NC(C)(C)CO1 - Molecular Weight1
- 381.59
- 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 | 0.5263 | Relay (1.0) Calculated Property | |
| ΔfG° | 731.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.672 | Crippen Calculated Property | |
| McVol | 352.090 | ml/mol | McGowan Calculated Property |
| Pc | 998.91 | kPa | Joback Calculated Property |
| Inp | 2655.80 | NIST | |
| Tboil | 638.59 | K | Relay (1.0) Calculated Property |
| Tc | 842.44 | K | Relay (1.0) Calculated Property |
| Tfus | 308.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.149 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1155.40; 1300.72] | J/mol×K | [919.55; 1136.41] | 
|
| Cp,gas | 1155.40 | J/mol×K | 919.55 | Joback Calculated Property |
| Cp,gas | 1178.87 | J/mol×K | 955.69 | Joback Calculated Property |
| Cp,gas | 1202.33 | J/mol×K | 991.84 | Joback Calculated Property |
| Cp,gas | 1226.01 | J/mol×K | 1027.98 | Joback Calculated Property |
| Cp,gas | 1250.14 | J/mol×K | 1064.13 | Joback Calculated Property |
| Cp,gas | 1274.97 | J/mol×K | 1100.27 | Joback Calculated Property |
| Cp,gas | 1300.72 | J/mol×K | 1136.41 | Joback Calculated Property |
Similar Compounds
Sources
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