- InChI
- InChI=1S/C37H73N/c1-4-5-6-7-8-9-18-21-24-27-31-36(2)33-30-34-37(3)32-28-25-22-19-16-14-12-10-11-13-15-17-20-23-26-29-35-38/h36-37H,4-34H2,1-3H3
- InChI Key
- SHUHFLPYJWDATQ-UHFFFAOYSA-N
- Formula
- C37H73N
- SMILES
-
CCCCCCCCCCCCC(C)CCCC(C)CCCCCCC
CCCCCCCCCCC#N - Molecular Weight1
- 531.98
- 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 | 1.4599 | Relay (1.0) Calculated Property | |
| ΔfG° | 388.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 86.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 179.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.895 | Crippen Calculated Property | |
| McVol | 533.570 | ml/mol | McGowan Calculated Property |
| Pc | 437.85 | kPa | Joback Calculated Property |
| Inp | [3902.00; 3902.00] |
|
|
| Inp | 3902.00 | NIST | |
| Inp | 3902.00 | NIST | |
| Tboil | 722.47 | K | Relay (1.0) Calculated Property |
| Tc | 929.01 | K | Relay (1.0) Calculated Property |
| Tfus | 316.70 | K | Relay (1.0) Calculated Property |
| Vc | 2.039 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2009.99; 2184.75] | J/mol×K | [1147.16; 1499.99] |
|
| Cp,gas | 2009.99 | J/mol×K | 1147.16 | Joback Calculated Property |
| Cp,gas | 2044.98 | J/mol×K | 1205.97 | Joback Calculated Property |
| Cp,gas | 2076.94 | J/mol×K | 1264.77 | Joback Calculated Property |
| Cp,gas | 2106.38 | J/mol×K | 1323.58 | Joback Calculated Property |
| Cp,gas | 2133.82 | J/mol×K | 1382.38 | Joback Calculated Property |
| Cp,gas | 2159.77 | J/mol×K | 1441.19 | Joback Calculated Property |
| Cp,gas | 2184.75 | J/mol×K | 1499.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 18,22-Dimethyl-tetratriacontyl cyanide.
Sources
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