- InChI
- InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3
- InChI Key
- RIRARCHMRDHZAR-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- CC1CCCC1C
- Molecular Weight1
- 98.19
- CAS
- 2452-99-5
- Other Names
-
- 1,2-Dimethylcyclopentane
- trans-1,2-Dimethylcyclopentane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- Ip : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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 | 0.2692 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ΔfG° | 36.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.442 | Crippen Calculated Property | |
| McVol | 98.630 | ml/mol | McGowan Calculated Property |
| Pc | 3447.38 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Inp | [677.00; 689.00] |
|
|
| Inp | 689.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 677.00 | NIST | |
| Inp | 685.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 686.00 | NIST | |
| Ip | [726.00; 726.00] |
|
|
| Ip | 726.00 | NIST | |
| Ip | 726.00 | NIST | |
| S°liquid | 269.90 | J/mol×K | NIST |
| Tboil | 370.00 ± 7.00 | K | NIST |
| Tc | 553.15 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tfus | 155.55 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 187.40 | J/mol×K | 294.20 | NIST |
| ΔfusH | 6.41 | kJ/mol | 154.10 | NIST |
| ΔfusS | 41.60 | J/mol×K | 154.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.02; 370.42] | 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 | -5.80200e+01 | |||
| Coefficient B | 7.74040e-01 | |||
| Coefficient C | -4.29000e-04 | |||
| Coefficient D | 8.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 204.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 238.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 268.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 295.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 318.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 355.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 370.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028028; 0.0002458] | Pa×s | [155.55; 387.20] |
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 | -9.94511e+00 | |||
| Coefficient B | 6.32770e+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. | 155.55 | |||
| Temperature range, max. | 387.20 | |||
| η | 0.0028028 | Pa×s | 155.55 | Calculated Property |
| η | 0.0015731 | Pa×s | 181.29 | Calculated Property |
| η | 0.0010193 | Pa×s | 207.03 | Calculated Property |
| η | 0.0007270 | Pa×s | 232.77 | Calculated Property |
| η | 0.0005546 | Pa×s | 258.51 | Calculated Property |
| η | 0.0004443 | Pa×s | 284.25 | Calculated Property |
| η | 0.0003693 | Pa×s | 309.99 | Calculated Property |
| η | 0.0003158 | Pa×s | 335.73 | Calculated Property |
| η | 0.0002762 | Pa×s | 361.47 | Calculated Property |
| η | 0.0002458 | Pa×s | 387.20 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [262.50; 397.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34204e+01 | |||
| Coefficient B | -2.86939e+03 | |||
| Coefficient C | -4.40100e+01 | |||
| Temperature range, min. | 262.50 | |||
| Temperature range, max. | 397.87 | |||
| Pvap | 1.33 | kPa | 262.50 | Calculated Property |
| Pvap | 3.11 | kPa | 277.54 | Calculated Property |
| Pvap | 6.53 | kPa | 292.58 | Calculated Property |
| Pvap | 12.62 | kPa | 307.62 | Calculated Property |
| Pvap | 22.72 | kPa | 322.66 | Calculated Property |
| Pvap | 38.49 | kPa | 337.71 | Calculated Property |
| Pvap | 61.96 | kPa | 352.75 | Calculated Property |
| Pvap | 95.41 | kPa | 367.79 | Calculated Property |
| Pvap | 141.40 | kPa | 382.83 | Calculated Property |
| Pvap | 202.67 | kPa | 397.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, 1,2-dimethyl-.
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).
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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