Chemical Properties of Bicyclo[1.1.0]butane (CAS 157-33-5)

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

CAS

157-33-5

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°gas	-2648.70 ± 0.79	kJ/mol	NIST
ΔfG°	128.50	kJ/mol	Joback Calculated Property
ΔfH°gas	217.00 ± 0.80	kJ/mol	NIST
ΔfusH°	6.59	kJ/mol	Joback Calculated Property
ΔvapH°	23.98	kJ/mol	Joback Calculated Property
IE	[8.70; 8.70]	eV
IE	8.70 ± 0.01	eV	NIST
IE	8.70 ± 0.01	eV	NIST
log10WS	-0.80		Crippen Calculated Property
logPoct/wat	1.026		Crippen Calculated Property
McVol	45.500	ml/mol	McGowan Calculated Property
Pc	5160.85	kPa	Joback Calculated Property
Tboil	281.40	K	NIST
Tc	473.47	K	Joback Calculated Property
Tfus	177.76	K	Joback Calculated Property
Vc	0.190	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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