- InChI
- InChI=1S/C8H16/c1-2-3-4-5-8-6-7-8/h8H,2-7H2,1H3
- InChI Key
- SUBUEDOPXXGMKP-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CCCCCC1CC1
- Molecular Weight1
- 112.22
- Other Names
-
- Pentane, 1-cyclopropyl-
- Pentylcyclopropane
- 1-Cyclopropylpentane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.3782 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5021.00 | kJ/mol | NIST |
| ΔfG° | 77.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.977 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [812.00; 813.40] |
|
|
| Inp | 812.20 | NIST | |
| Inp | 813.40 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 812.00 | NIST | |
| Tboil | 401.00 ± 1.00 | K | NIST |
| Tc | 592.15 | K | Relay (1.0) Calculated Property |
| Tfus | 176.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.75; 411.79] | 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 | -5.46260e+01 | |||
| Coefficient B | 9.14720e-01 | |||
| Coefficient C | -6.31600e-04 | |||
| Coefficient D | 1.83300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 198.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 274.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 305.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 355.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 376.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 394.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 411.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013982; 0.0003488] | Pa×s | [197.86; 396.88] |
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 | -9.34157e+00 | |||
| Coefficient B | 5.47880e+02 | |||
| 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. | 197.86 | |||
| Temperature range, max. | 396.88 | |||
| η | 0.0013982 | Pa×s | 197.86 | Calculated Property |
| η | 0.0010585 | Pa×s | 219.97 | Calculated Property |
| η | 0.0008431 | Pa×s | 242.09 | Calculated Property |
| η | 0.0006976 | Pa×s | 264.20 | Calculated Property |
| η | 0.0005944 | Pa×s | 286.31 | Calculated Property |
| η | 0.0005182 | Pa×s | 308.43 | Calculated Property |
| η | 0.0004601 | Pa×s | 330.54 | Calculated Property |
| η | 0.0004147 | Pa×s | 352.65 | Calculated Property |
| η | 0.0003784 | Pa×s | 374.77 | Calculated Property |
| η | 0.0003488 | Pa×s | 396.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, pentyl-.
Sources
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