- InChI
- InChI=1S/C25H50/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(4-2)25-22-19-17-20-23-25/h24-25H,3-23H2,1-2H3
- InChI Key
- GTYHTXZNQDQOOL-UHFFFAOYSA-N
- Formula
- C25H50
- SMILES
- CCCCCCCCCCCCCCCCC(CC)C1CCCCC1
- Molecular Weight1
- 350.66
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- Ip : 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 | 0.8780 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 9.464 | Crippen Calculated Property | |
| McVol | 352.250 | ml/mol | McGowan Calculated Property |
| Pc | 862.51 | kPa | Joback Calculated Property |
| Inp | 2513.70 | NIST | |
| Ip | [2596.76; 2596.76] |
|
|
| Ip | 2596.76 | NIST | |
| Ip | 2596.76 | NIST | |
| Tboil | 638.94 | K | Relay (1.0) Calculated Property |
| Tc | 827.16 | K | Relay (1.0) Calculated Property |
| Tfus | 286.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.327 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.39; 1294.72] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.71240e+01 | |||
| Coefficient B | 2.50684e+00 | |||
| Coefficient C | -1.42040e-03 | |||
| Coefficient D | 2.95400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 497.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 635.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 758.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 867.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 965.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1050.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1125.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1190.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1246.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1294.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031872; 0.0000850] | Pa×s | [363.89; 682.12] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35161e+01 | |||
| Coefficient B | 2.82653e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 363.89 | |||
| Temperature range, max. | 682.12 | |||
| η | 0.0031872 | Pa×s | 363.89 | Calculated Property |
| η | 0.0016020 | Pa×s | 399.25 | Calculated Property |
| η | 0.0009005 | Pa×s | 434.61 | Calculated Property |
| η | 0.0005521 | Pa×s | 469.97 | Calculated Property |
| η | 0.0003624 | Pa×s | 505.33 | Calculated Property |
| η | 0.0002514 | Pa×s | 540.69 | Calculated Property |
| η | 0.0001824 | Pa×s | 576.05 | Calculated Property |
| η | 0.0001373 | Pa×s | 611.40 | Calculated Property |
| η | 0.0001067 | Pa×s | 646.76 | Calculated Property |
| η | 0.0000850 | Pa×s | 682.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclohexylnonadecane.
Sources
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