- InChI
- InChI=1S/C9H18/c1-8(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
- InChI Key
- DPUYDFJBHDYVQM-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CC(C)CC1CCCC1
- Molecular Weight1
- 126.24
- CAS
- 3788-32-7
- Other Names
-
- (2-METHYLPROPYL)CYCLOPENTANE
- Cyclopentane, isobutyl-
- Isobutylcyclopentane
- 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).
- 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).
- Pvap : Vapor 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 | 0.3217 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [887.00; 937.00] |
|
|
| Inp | 891.50 | NIST | |
| Inp | 896.90 | NIST | |
| Inp | Outlier 932.00 | NIST | |
| Inp | Outlier 937.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 903.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 893.30 | NIST | |
| Inp | 890.00 | NIST | |
| Inp | 896.00 | NIST | |
| Inp | 893.00 | NIST | |
| Inp | 892.00 | NIST | |
| Inp | 891.50 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 898.00 | NIST | |
| Inp | 903.00 | NIST | |
| Tboil | 421.12 ± 0.20 | K | NIST |
| Tc | 619.73 | K | Relay (1.0) Calculated Property |
| Tfus | [157.88; 158.05] | K |
|
| Tfus | 158.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 157.88 ± 0.07 | K | NIST |
| Tfus | 157.89 ± 0.05 | K | NIST |
| Tfus | 157.92 ± 0.03 | K | NIST |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.86; 467.48] | 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 | -6.74590e+01 | |||
| Coefficient B | 9.96440e-01 | |||
| Coefficient C | -5.96400e-04 | |||
| Coefficient D | 1.34900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 343.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 403.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 428.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 449.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 467.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0235622; 0.0002777] | Pa×s | [157.94; 431.29] |
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 | -1.07548e+01 | |||
| Coefficient B | 1.10660e+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. | 157.94 | |||
| Temperature range, max. | 431.29 | |||
| η | 0.0235622 | Pa×s | 157.94 | Calculated Property |
| η | 0.0076104 | Pa×s | 188.31 | Calculated Property |
| η | 0.0033647 | Pa×s | 218.68 | Calculated Property |
| η | 0.0018152 | Pa×s | 249.05 | Calculated Property |
| η | 0.0011199 | Pa×s | 279.43 | Calculated Property |
| η | 0.0007596 | Pa×s | 309.80 | Calculated Property |
| η | 0.0005521 | Pa×s | 340.17 | Calculated Property |
| η | 0.0004229 | Pa×s | 370.54 | Calculated Property |
| η | 0.0003373 | Pa×s | 400.92 | Calculated Property |
| η | 0.0002777 | Pa×s | 431.29 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [310.21; 448.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43385e+01 | |||
| Coefficient B | -3.49784e+03 | |||
| Coefficient C | -6.12650e+01 | |||
| Temperature range, min. | 310.21 | |||
| Temperature range, max. | 448.75 | |||
| Pvap | 1.33 | kPa | 310.21 | Calculated Property |
| Pvap | 3.02 | kPa | 325.60 | Calculated Property |
| Pvap | 6.26 | kPa | 341.00 | Calculated Property |
| Pvap | 12.02 | kPa | 356.39 | Calculated Property |
| Pvap | 21.63 | kPa | 371.78 | Calculated Property |
| Pvap | 36.82 | kPa | 387.18 | Calculated Property |
| Pvap | 59.74 | kPa | 402.57 | Calculated Property |
| Pvap | 92.97 | kPa | 417.96 | Calculated Property |
| Pvap | 139.49 | kPa | 433.36 | Calculated Property |
| Pvap | 202.64 | kPa | 448.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, (2-methylpropyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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