- InChI
- InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
- InChI Key
- IVAGOJQDJFWIRT-WDSKDSINSA-N
- Formula
- C6H12
- SMILES
- CC1CCC1C
- Molecular Weight1
- 84.16
- CAS
- 15679-02-4
- 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).
- 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 | 0.2563 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 330.00 ± 0.50 | K | NIST |
| Tc | 522.08 | K | Relay (1.0) Calculated Property |
| Tfus | 150.70 ± 2.00 | K | NIST |
| Vc | 0.308 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.70; 317.05] | 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 | -5.19900e+01 | |||
| Coefficient B | 6.88640e-01 | |||
| Coefficient C | -4.21000e-04 | |||
| Coefficient D | 1.01400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 106.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 143.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 176.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 204.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 230.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 272.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 289.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 317.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007903; 0.0002198] | Pa×s | [150.70; 370.31] |
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 | -9.30126e+00 | |||
| Coefficient B | 3.25240e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 150.70 | |||
| Temperature range, max. | 370.31 | |||
| η | 0.0007903 | Pa×s | 150.70 | Calculated Property |
| η | 0.0005850 | Pa×s | 175.10 | Calculated Property |
| η | 0.0004662 | Pa×s | 199.50 | Calculated Property |
| η | 0.0003903 | Pa×s | 223.90 | Calculated Property |
| η | 0.0003384 | Pa×s | 248.31 | Calculated Property |
| η | 0.0003009 | Pa×s | 272.71 | Calculated Property |
| η | 0.0002729 | Pa×s | 297.11 | Calculated Property |
| η | 0.0002511 | Pa×s | 321.51 | Calculated Property |
| η | 0.0002338 | Pa×s | 345.91 | Calculated Property |
| η | 0.0002198 | Pa×s | 370.31 | Calculated Property |
Similar Compounds
Find more compounds similar to cyclobutane, 1,2-dimethyl-, trans-.
Sources
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