- InChI
- InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3
- InChI Key
- OFZYBEBWCZBCPM-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CC1(C)CCC1
- Molecular Weight1
- 84.16
- CAS
- 18931-71-0
- 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).
- Pvap : Vapor 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 | 0.2231 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 1.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 25.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.196 | Crippen Calculated Property | |
| McVol | 84.540 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 322.38 | K | Relay (1.0) Calculated Property |
| Tc | 512.67 | K | Relay (1.0) Calculated Property |
| Tfus | 186.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.295 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.32; 209.97] | J/mol×K | [347.93; 543.37] | 
|
| Cp,gas | 138.32 | J/mol×K | 347.93 | Joback Calculated Property |
| Cp,gas | 152.73 | J/mol×K | 380.50 | Joback Calculated Property |
| Cp,gas | 166.04 | J/mol×K | 413.08 | Joback Calculated Property |
| Cp,gas | 178.32 | J/mol×K | 445.65 | Joback Calculated Property |
| Cp,gas | 189.68 | J/mol×K | 478.22 | Joback Calculated Property |
| Cp,gas | 200.20 | J/mol×K | 510.79 | Joback Calculated Property |
| Cp,gas | 209.97 | J/mol×K | 543.37 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [240.32; 362.42] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38559e+01 | |||
| Coefficient B | -2.81768e+03 | |||
| Coefficient C | -3.26540e+01 | |||
| Temperature range, min. | 240.32 | |||
| Temperature range, max. | 362.42 | |||
| Pvap | 1.33 | kPa | 240.32 | Calculated Property |
| Pvap | 3.06 | kPa | 253.89 | Calculated Property |
| Pvap | 6.40 | kPa | 267.45 | Calculated Property |
| Pvap | 12.32 | kPa | 281.02 | Calculated Property |
| Pvap | 22.17 | kPa | 294.59 | Calculated Property |
| Pvap | 37.65 | kPa | 308.15 | Calculated Property |
| Pvap | 60.85 | kPa | 321.72 | Calculated Property |
| Pvap | 94.19 | kPa | 335.29 | Calculated Property |
| Pvap | 140.45 | kPa | 348.85 | Calculated Property |
| Pvap | 202.64 | kPa | 362.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-DIMETHYLCYCLOBUTANE.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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