- InChI
- InChI=1S/C35H69N/c1-5-6-21-26-33(2)28-24-30-35(4)31-25-29-34(3)27-22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-32-36/h33-35H,5-31H2,1-4H3
- InChI Key
- NAKIKNYXMCRDJN-UHFFFAOYSA-N
- Formula
- C35H69N
- SMILES
-
CCCCCC(C)CCCC(C)CCCC(C)CCCCCCC
CCCCCCCCCCC#N - Molecular Weight1
- 503.93
- 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 | 1.3466 | Relay (1.0) Calculated Property | |
| ΔfG° | 369.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 166.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.971 | Crippen Calculated Property | |
| McVol | 505.390 | ml/mol | McGowan Calculated Property |
| Pc | 476.93 | kPa | Joback Calculated Property |
| Inp | [3641.00; 3641.00] |
|
|
| Inp | 3641.00 | NIST | |
| Inp | 3641.00 | NIST | |
| Tboil | 711.86 | K | Relay (1.0) Calculated Property |
| Tc | 922.74 | K | Relay (1.0) Calculated Property |
| Tfus | 293.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.917 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1873.21; 2026.83] | J/mol×K | [1101.16; 1405.77] |
|
| Cp,gas | 1873.21 | J/mol×K | 1101.16 | Joback Calculated Property |
| Cp,gas | 1904.02 | J/mol×K | 1151.93 | Joback Calculated Property |
| Cp,gas | 1932.34 | J/mol×K | 1202.70 | Joback Calculated Property |
| Cp,gas | 1958.46 | J/mol×K | 1253.46 | Joback Calculated Property |
| Cp,gas | 1982.71 | J/mol×K | 1304.23 | Joback Calculated Property |
| Cp,gas | 2005.40 | J/mol×K | 1355.00 | Joback Calculated Property |
| Cp,gas | 2026.83 | J/mol×K | 1405.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 18,22,26-Trimethyl-hentriacontyl cyanide.
Sources
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