- InChI
- InChI=1S/C33H65N/c1-5-24-31(2)26-22-28-33(4)29-23-27-32(3)25-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-30-34/h31-33H,5-29H2,1-4H3
- InChI Key
- XMTRGLQNTSHQKR-UHFFFAOYSA-N
- Formula
- C33H65N
- SMILES
-
CCCC(C)CCCC(C)CCCC(C)CCCCCCCCC
CCCCCCCCC#N - Molecular Weight1
- 475.88
- 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).
- 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 | 1.2779 | Relay (1.0) Calculated Property | |
| ΔfG° | 352.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 156.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.59 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 12.191 | Crippen Calculated Property | |
| McVol | 477.210 | ml/mol | McGowan Calculated Property |
| Pc | 519.59 | kPa | Joback Calculated Property |
| Inp | 3466.00 | NIST | |
| Tboil | 698.17 | K | Relay (1.0) Calculated Property |
| Tc | 908.42 | K | Relay (1.0) Calculated Property |
| Tfus | 295.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.807 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1737.40; 1878.34] | J/mol×K | [1055.20; 1326.09] | 
|
| Cp,gas | 1737.40 | J/mol×K | 1055.20 | Joback Calculated Property |
| Cp,gas | 1765.47 | J/mol×K | 1100.35 | Joback Calculated Property |
| Cp,gas | 1791.43 | J/mol×K | 1145.50 | Joback Calculated Property |
| Cp,gas | 1815.49 | J/mol×K | 1190.64 | Joback Calculated Property |
| Cp,gas | 1837.86 | J/mol×K | 1235.79 | Joback Calculated Property |
| Cp,gas | 1858.74 | J/mol×K | 1280.94 | Joback Calculated Property |
| Cp,gas | 1878.34 | J/mol×K | 1326.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 18,22,26-Trimethyl-nonacosyl cyanide.
Sources
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