- InChI
- InChI=1S/C32H63N/c1-3-32(2)30-28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33/h32H,3-30H2,1-2H3
- InChI Key
- DABXOZVINIJWEL-UHFFFAOYSA-N
- Formula
- C32H63N
- SMILES
-
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC
CCCC#N - Molecular Weight1
- 461.86
- 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 | 1.3363 | Relay (1.0) Calculated Property | |
| ΔfG° | 349.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 162.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.089 | Crippen Calculated Property | |
| McVol | 463.120 | ml/mol | McGowan Calculated Property |
| Pc | 539.08 | kPa | Joback Calculated Property |
| Inp | [3531.00; 3531.00] |
|
|
| Inp | 3531.00 | NIST | |
| Inp | 3531.00 | NIST | |
| Tboil | 689.83 | K | Relay (1.0) Calculated Property |
| Tc | 901.32 | K | Relay (1.0) Calculated Property |
| Tfus | 333.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.788 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1669.67; 1809.80] | J/mol×K | [1033.20; 1296.44] |
|
| Cp,gas | 1669.67 | J/mol×K | 1033.20 | Joback Calculated Property |
| Cp,gas | 1697.39 | J/mol×K | 1077.07 | Joback Calculated Property |
| Cp,gas | 1723.11 | J/mol×K | 1120.95 | Joback Calculated Property |
| Cp,gas | 1747.03 | J/mol×K | 1164.82 | Joback Calculated Property |
| Cp,gas | 1769.33 | J/mol×K | 1208.69 | Joback Calculated Property |
| Cp,gas | 1790.19 | J/mol×K | 1252.56 | Joback Calculated Property |
| Cp,gas | 1809.80 | J/mol×K | 1296.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 28-Methyl-triacontyl cyanide.
Sources
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