Chemical Properties of 1,3-Dimethylbicyclo[1.1.0]butane (CAS 930-25-6)

InChI

InChI=1S/C6H10/c1-5-3-6(5,2)4-5/h3-4H2,1-2H3

InChI Key

IGAOOQCFXPSZTQ-UHFFFAOYSA-N

Formula

C6H10

SMILES

CC12CC1(C)C2

Molecular Weight¹

82.14

CAS

930-25-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.19; 195.00]	J/mol×K	[342.10; 538.39]
Cp,gas	127.19	J/mol×K	342.10	Joback Calculated Property
Cp,gas	142.52	J/mol×K	374.81	Joback Calculated Property
Cp,gas	155.98	J/mol×K	407.53	Joback Calculated Property
Cp,gas	167.77	J/mol×K	440.24	Joback Calculated Property
Cp,gas	178.07	J/mol×K	472.96	Joback Calculated Property
Cp,gas	187.08	J/mol×K	505.67	Joback Calculated Property
Cp,gas	195.00	J/mol×K	538.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dimethylbicyclo[1.1.0]butane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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