- InChI
- InChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h1-7H2
- InChI Key
- XJYOAWSHIQNEGC-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- C=C1CCCCCC1
- Molecular Weight1
- 110.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 |
|---|---|---|---|
| ΔfH°gas | -34.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.897 | Crippen Calculated Property | |
| McVol | 108.420 | ml/mol | McGowan Calculated Property |
| Inp | 861.00 | NIST | |
| Tboil | 403.03 | K | Relay (1.0) Calculated Property |
| Tfus | 194.77 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [126.42; 380.34] | 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 | -5.87600e+01 | |||
| Coefficient B | 7.85300e-01 | |||
| Coefficient C | -4.09000e-04 | |||
| Coefficient D | 6.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 126.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 277.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 328.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 349.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 366.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 380.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0111689; 0.0002077] | Pa×s | [201.70; 435.63] |
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 | -1.19147e+01 | |||
| Coefficient B | 1.49663e+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. | 201.70 | |||
| Temperature range, max. | 435.63 | |||
| η | 0.0111689 | Pa×s | 201.70 | Calculated Property |
| η | 0.0047878 | Pa×s | 227.69 | Calculated Property |
| η | 0.0024415 | Pa×s | 253.69 | Calculated Property |
| η | 0.0014110 | Pa×s | 279.68 | Calculated Property |
| η | 0.0008952 | Pa×s | 305.67 | Calculated Property |
| η | 0.0006099 | Pa×s | 331.66 | Calculated Property |
| η | 0.0004394 | Pa×s | 357.66 | Calculated Property |
| η | 0.0003309 | Pa×s | 383.65 | Calculated Property |
| η | 0.0002584 | Pa×s | 409.64 | Calculated Property |
| η | 0.0002077 | Pa×s | 435.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptane, methylene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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