- InChI
- InChI=1S/C11H22/c1-3-4-5-8-11(2)9-6-7-10-11/h3-10H2,1-2H3
- InChI Key
- FTOMLSGOCGTRPP-UHFFFAOYSA-N
- Formula
- C11H22
- SMILES
- CCCCCC1(C)CCCC1
- Molecular Weight1
- 154.29
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3833 | Relay (1.0) Calculated Property | |
| ΔfusH° | 11.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.147 | Crippen Calculated Property | |
| McVol | 154.990 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [1078.00; 1088.00] |
|
|
| Inp | 1083.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1078.00 | NIST | |
| Tboil | 457.88 | K | Relay (1.0) Calculated Property |
| Tc | 652.39 | K | Relay (1.0) Calculated Property |
| Tfus | 181.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.68; 577.45] | 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 | -1.17586e+02 | |||
| Coefficient B | 1.47244e+00 | |||
| Coefficient C | -1.23460e-03 | |||
| Coefficient D | 4.57200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 269.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 375.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 418.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 455.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 488.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 518.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 547.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 577.45 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1-methyl-1-pentyl.
Sources
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