- InChI
- InChI=1S/C9H18/c1-9(2)7-5-3-4-6-8-9/h3-8H2,1-2H3
- InChI Key
- CRGBHZNMDZJGAI-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CC1(C)CCCCCC1
- Molecular Weight1
- 126.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.2218 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -202.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 3062.55 | kPa | Joback Calculated Property |
| Inp | [916.00; 916.00] |
|
|
| Inp | 916.00 | NIST | |
| Inp | 916.00 | NIST | |
| Tboil | 417.66 | K | Relay (1.0) Calculated Property |
| Tc | 619.04 | K | Relay (1.0) Calculated Property |
| Tfus | 239.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.47; 477.83] | 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 | -1.26010e+02 | |||
| Coefficient B | 1.26324e+00 | |||
| Coefficient C | -1.03300e-03 | |||
| Coefficient D | 3.73600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 258.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 301.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 400.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 427.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 452.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 477.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptane, 1,1-dimethyl.
Sources
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