- InChI
- InChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3/h13H,4-12H2,1-3H3
- InChI Key
- PMTRHHGOQMLDQB-UHFFFAOYSA-N
- Formula
- C14H28
- SMILES
- CCCCCCCCCC1CC1(C)C
- Molecular Weight1
- 196.38
- 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).
- 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).
- 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 | 0.5525 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.173 | Crippen Calculated Property | |
| McVol | 197.260 | ml/mol | McGowan Calculated Property |
| Pc | 1707.53 | kPa | Joback Calculated Property |
| Tboil | 502.71 | K | Relay (1.0) Calculated Property |
| Tc | 697.54 | K | Relay (1.0) Calculated Property |
| Tfus | 218.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.37; 735.33] | 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 | -1.04132e+02 | |||
| Coefficient B | 1.75016e+00 | |||
| Coefficient C | -1.43520e-03 | |||
| Coefficient D | 5.24500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 277.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 358.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 428.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 488.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 540.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 585.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 626.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 663.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 699.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 735.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-dimethyl-2-nonyl-.
Sources
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