- InChI
- InChI=1S/C12H22/c1(3-5-11-7-8-11)2-4-6-12-9-10-12/h11-12H,1-10H2
- InChI Key
- AKQNFNHJHSBCOS-UHFFFAOYSA-N
- Formula
- C12H22
- SMILES
- C(CCCC1CC1)CCC1CC1
- Molecular Weight1
- 166.30
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5450 | Relay (1.0) Calculated Property | |
| ΔfG° | 171.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.147 | Crippen Calculated Property | |
| McVol | 158.220 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Inp | 1231.20 | NIST | |
| Tboil | 513.45 | K | Relay (1.0) Calculated Property |
| Tc | 716.92 | K | Relay (1.0) Calculated Property |
| Tfus | 266.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.655 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.16; 597.90] | 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 | -1.08504e+02 | |||
| Coefficient B | 1.44560e+00 | |||
| Coefficient C | -1.06940e-03 | |||
| Coefficient D | 3.30200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 344.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 443.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 482.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 516.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 546.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 573.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 597.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016523; 0.0008207] | Pa×s | [260.88; 471.50] |
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 | -7.97216e+00 | |||
| Coefficient B | 4.08680e+02 | |||
| 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. | 260.88 | |||
| Temperature range, max. | 471.50 | |||
| η | 0.0016523 | Pa×s | 260.88 | Calculated Property |
| η | 0.0014524 | Pa×s | 284.28 | Calculated Property |
| η | 0.0013019 | Pa×s | 307.68 | Calculated Property |
| η | 0.0011853 | Pa×s | 331.09 | Calculated Property |
| η | 0.0010925 | Pa×s | 354.49 | Calculated Property |
| η | 0.0010172 | Pa×s | 377.89 | Calculated Property |
| η | 0.0009550 | Pa×s | 401.29 | Calculated Property |
| η | 0.0009029 | Pa×s | 424.69 | Calculated Property |
| η | 0.0008587 | Pa×s | 448.10 | Calculated Property |
| η | 0.0008207 | Pa×s | 471.50 | Calculated Property |
Similar Compounds
Find more compounds similar to (7,8-Methylene)octyl-cyclopropane.
Sources
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