- InChI
- InChI=1S/C32H63N/c1-4-26-31(2)27-23-21-24-29-32(3)28-22-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-25-30-33/h31-32H,4-29H2,1-3H3
- InChI Key
- JUWQFCWTIRIVIR-UHFFFAOYSA-N
- Formula
- C32H63N
- SMILES
-
CCCC(C)CCCCCC(C)CCCCCCCCCCCCCC
CCCCCC#N - Molecular Weight1
- 461.85
- 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 | 1.2862 | Relay (1.0) Calculated Property | |
| ΔfG° | 346.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 158.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 11.945 | Crippen Calculated Property | |
| McVol | 463.120 | ml/mol | McGowan Calculated Property |
| Pc | 541.08 | kPa | Joback Calculated Property |
| Inp | [3447.00; 3447.00] |
|
|
| Inp | 3447.00 | NIST | |
| Inp | 3447.00 | NIST | |
| Tboil | 690.16 | K | Relay (1.0) Calculated Property |
| Tc | 904.17 | K | Relay (1.0) Calculated Property |
| Tfus | 307.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.770 | 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 | [1669.98; 1807.80] | J/mol×K | [1032.96; 1292.89] |
|
| Cp,gas | 1669.98 | J/mol×K | 1032.96 | Joback Calculated Property |
| Cp,gas | 1697.26 | J/mol×K | 1076.28 | Joback Calculated Property |
| Cp,gas | 1722.59 | J/mol×K | 1119.60 | Joback Calculated Property |
| Cp,gas | 1746.12 | J/mol×K | 1162.92 | Joback Calculated Property |
| Cp,gas | 1768.05 | J/mol×K | 1206.24 | Joback Calculated Property |
| Cp,gas | 1788.55 | J/mol×K | 1249.56 | Joback Calculated Property |
| Cp,gas | 1807.80 | J/mol×K | 1292.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 20,26-Dimethyl-nonacosyl cyanide.
Sources
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