- InChI
- InChI=1S/C37H73N/c1-6-7-25-34(2)27-22-29-36(4)31-24-32-37(5)30-23-28-35(3)26-20-18-16-14-12-10-8-9-11-13-15-17-19-21-33-38/h34-37H,6-32H2,1-5H3
- InChI Key
- KVICQHLMNBUBMM-UHFFFAOYSA-N
- Formula
- C37H73N
- SMILES
-
CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CCCCCCCCCCCCCCC#N - Molecular Weight1
- 531.98
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 384.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 79.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.88 | kJ/mol | Joback Calculated Property |
| log10WS | -14.21 | Crippen Calculated Property | |
| logPoct/wat | 13.607 | Crippen Calculated Property | |
| McVol | 533.570 | ml/mol | McGowan Calculated Property |
| Pc | 440.80 | kPa | Joback Calculated Property |
| Inp | [3681.00; 3681.00] |
|
|
| Inp | 3681.00 | NIST | |
| Inp | 3681.00 | NIST | |
| Tboil | 1146.28 | K | Joback Calculated Property |
| Tc | 1486.31 | K | Joback Calculated Property |
| Tfus | 511.74 | K | Joback Calculated Property |
| Vc | 2.110 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2009.73; 2175.81] | J/mol×K | [1146.28; 1486.31] |
|
| Cp,gas | 2009.73 | J/mol×K | 1146.28 | Joback Calculated Property |
| Cp,gas | 2043.14 | J/mol×K | 1202.95 | Joback Calculated Property |
| Cp,gas | 2073.65 | J/mol×K | 1259.62 | Joback Calculated Property |
| Cp,gas | 2101.71 | J/mol×K | 1316.30 | Joback Calculated Property |
| Cp,gas | 2127.78 | J/mol×K | 1372.97 | Joback Calculated Property |
| Cp,gas | 2152.33 | J/mol×K | 1429.64 | Joback Calculated Property |
| Cp,gas | 2175.81 | J/mol×K | 1486.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16,20,24,28-Tetramethyl-hentriacontyl cyanide.
Sources
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