Chemical Properties of BICYCLO[1.1.0]BUTANE

InChI

InChI=1S/C4H6/c1-3-2-4(1)3/h3-4H,1-2H2

InChI Key

LASLVGACQUUOEB-UHFFFAOYSA-N

Formula

C4H6

SMILES

C1C2CC12

Molecular Weight¹

54.09

• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : 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

Property	Value	Unit	Source
ΔcH°gas	-2648.70 ± 0.79	kJ/mol	NIST
ΔfH°gas	217.00 ± 0.80	kJ/mol	NIST
ΔfusH°	6.59	kJ/mol	Joback Calculated Property
ΔvapH°	20.79	kJ/mol	Relay (1.0) Calculated Property
IE	[8.70; 8.70]	eV
IE	8.70 ± 0.01	eV	NIST
IE	8.70 ± 0.01	eV	NIST
logPoct/wat	1.026		Crippen Calculated Property
McVol	45.500	ml/mol	McGowan Calculated Property
Tboil	281.40	K	NIST
Tfus	259.05	K	Relay (1.0) Calculated Property

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	[61.53; 111.03]	J/mol×K	[295.86; 473.47]
Cp,gas	61.53	J/mol×K	295.86	Joback Calculated Property
Cp,gas	71.55	J/mol×K	325.46	Joback Calculated Property
Cp,gas	80.80	J/mol×K	355.06	Joback Calculated Property
Cp,gas	89.33	J/mol×K	384.67	Joback Calculated Property
Cp,gas	97.18	J/mol×K	414.27	Joback Calculated Property
Cp,gas	104.40	J/mol×K	443.87	Joback Calculated Property
Cp,gas	111.03	J/mol×K	473.47	Joback Calculated Property
η	[0.0000238; 0.0001347]	Pa×s	[177.76; 295.86]
η	0.0000238	Pa×s	177.76	Joback Calculated Property
η	0.0000367	Pa×s	197.44	Joback Calculated Property
η	0.0000523	Pa×s	217.13	Joback Calculated Property
η	0.0000703	Pa×s	236.81	Joback Calculated Property
η	0.0000903	Pa×s	256.49	Joback Calculated Property
η	0.0001119	Pa×s	276.18	Joback Calculated Property
η	0.0001347	Pa×s	295.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to BICYCLO[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.