- InChI
- InChI=1S/C12H24/c1-2-3-4-5-6-9-12-10-7-8-11-12/h12H,2-11H2,1H3
- InChI Key
- BOFNAOHMSHEKQL-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- CCCCCCCC1CCCC1
- Molecular Weight1
- 168.32
- CAS
- 5617-42-5
- Other Names
-
- 1-CYCLOPENTYLHEPTANE
- heptylcyclopentane
- n-Heptylcyclopentane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- γ : Surface Tension (N/m).
- 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 | [0.5146; 0.5150] |
|
|
| ω | 0.5146 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.5150 | KDB | |
| ΔcH°liquid | -7922.10 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 86.67 | kJ/mol | KDB |
| ΔfH°gas | [-230.30; -230.10] | kJ/mol |
|
| ΔfH°gas | -230.30 | kJ/mol | KDB |
| ΔfH°gas | -230.10 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.80 | kJ/mol | NIST |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.537 | Crippen Calculated Property | |
| McVol | 169.080 | ml/mol | McGowan Calculated Property |
| Pc | [1940.00; 1951.22] | kPa |
|
| Pc | 1951.22 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 1940.00 | kPa | KDB |
| Inp | 1234.00 | NIST | |
| Ip | [1296.00; 1305.00] |
|
|
| Ip | 1305.00 | NIST | |
| Ip | 1296.00 | NIST | |
| Ip | 1303.00 | NIST | |
| Ip | 1304.90 | NIST | |
| Tboil | [497.07; 497.30] | K |
|
| Tboil | 497.30 | K | KDB |
| Tboil | 497.07 ± 0.20 | K | NIST |
| Tboil | 497.07 ± 0.50 | K | NIST |
| Tc | [678.93; 679.00] | K |
|
| Tc | 678.93 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 679.00 | K | KDB |
| Tfus | [212.11; 220.15] | K |
|
| Tfus | 220.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 220.00 | K | KDB |
| Tfus | 212.11 ± 0.20 | K | NIST |
| Tfus | 212.11 ± 0.50 | K | NIST |
| Vc | 0.641 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 43.35 | kJ/mol | 497.30 | KDB |
| ρl | 810.00 | kg/m3 | 293.00 | KDB |
| γ | 0.03 | N/m | 298.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.82; 621.72] | 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 | -6.85040e+01 | |||
| Coefficient B | 1.27552e+00 | |||
| Coefficient C | -7.56400e-04 | |||
| Coefficient D | 1.71100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 295.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 356.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 411.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 459.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 501.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 538.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 570.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 597.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 621.72 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0093073; 0.0003075] | Pa×s | [216.09; 475.27] |
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 | -1.09301e+01 | |||
| Coefficient B | 1.35126e+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. | 216.09 | |||
| Temperature range, max. | 475.27 | |||
| η | 0.0093073 | Pa×s | 216.09 | Calculated Property |
| η | 0.0044614 | Pa×s | 244.89 | Calculated Property |
| η | 0.0024964 | Pa×s | 273.69 | Calculated Property |
| η | 0.0015602 | Pa×s | 302.49 | Calculated Property |
| η | 0.0010581 | Pa×s | 331.28 | Calculated Property |
| η | 0.0007636 | Pa×s | 360.08 | Calculated Property |
| η | 0.0005783 | Pa×s | 388.88 | Calculated Property |
| η | 0.0004551 | Pa×s | 417.68 | Calculated Property |
| η | 0.0003694 | Pa×s | 446.48 | Calculated Property |
| η | 0.0003075 | Pa×s | 475.27 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [372.34; 527.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47895e+01 | |||
| Coefficient B | -4.24819e+03 | |||
| Coefficient C | -7.93990e+01 | |||
| Temperature range, min. | 372.34 | |||
| Temperature range, max. | 527.62 | |||
| Pvap | 1.33 | kPa | 372.34 | Calculated Property |
| Pvap | 2.99 | kPa | 389.59 | Calculated Property |
| Pvap | 6.15 | kPa | 406.85 | Calculated Property |
| Pvap | 11.77 | kPa | 424.10 | Calculated Property |
| Pvap | 21.17 | kPa | 441.35 | Calculated Property |
| Pvap | 36.11 | kPa | 458.61 | Calculated Property |
| Pvap | 58.80 | kPa | 475.86 | Calculated Property |
| Pvap | 91.93 | kPa | 493.11 | Calculated Property |
| Pvap | 138.68 | kPa | 510.37 | Calculated Property |
| Pvap | 202.67 | kPa | 527.62 | Calculated Property |
| Pvap | [1.29; 1934.05] | kPa | [368.00; 679.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.21686e+02 | |||
| Coefficient B | -1.16261e+04 | |||
| Coefficient C | -1.53646e+01 | |||
| Coefficient D | 6.91950e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 368.00 | |||
| Temperature range, max. | 679.00 | |||
| Pvap | 1.29 | kPa | 368.00 | Calculated Property |
| Pvap | 5.89 | kPa | 402.56 | Calculated Property |
| Pvap | 19.91 | kPa | 437.11 | Calculated Property |
| Pvap | 53.95 | kPa | 471.67 | Calculated Property |
| Pvap | 123.73 | kPa | 506.22 | Calculated Property |
| Pvap | 249.99 | kPa | 540.78 | Calculated Property |
| Pvap | 458.46 | kPa | 575.33 | Calculated Property |
| Pvap | 780.58 | kPa | 609.89 | Calculated Property |
| Pvap | 1255.56 | kPa | 644.44 | Calculated Property |
| Pvap | 1934.05 | kPa | 679.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentane, heptyl-.
Sources
- KDB Vapor Pressure Data
- 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
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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