- InChI
- InChI=1S/C16H32/c1-15(2)11-9-7-5-6-8-10-12-16(3,4)14-13-15/h5-14H2,1-4H3
- InChI Key
- DGZRYHBSBBFPHU-UHFFFAOYSA-N
- Formula
- C16H32
- SMILES
- CC1(C)CCCCCCCCC(C)(C)CC1
- Molecular Weight1
- 224.43
- CAS
- 20250-91-3
- 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).
- 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 | 0.2947 | Relay (1.0) Calculated Property | |
| ΔfG° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.953 | Crippen Calculated Property | |
| McVol | 225.440 | ml/mol | McGowan Calculated Property |
| Pc | 1823.17 | kPa | Joback Calculated Property |
| Tboil | 562.93 | K | Relay (1.0) Calculated Property |
| Tc | 743.14 | K | Relay (1.0) Calculated Property |
| Tfus | 331.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.784 | 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 | [271.84; 861.85] | 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 | -2.02030e+02 | |||
| Coefficient B | 2.14568e+00 | |||
| Coefficient C | -1.65900e-03 | |||
| Coefficient D | 5.77200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 271.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 374.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 464.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 542.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 609.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 669.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 722.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 770.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 816.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 861.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclododecane, 1,1,4,4-tetramethyl-.
Sources
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