Chemical Properties of Isopropylcyclobutane (CAS 872-56-0)

InChI

InChI=1S/C7H14/c1-6(2)7-4-3-5-7/h6-7H,3-5H2,1-2H3

InChI Key

RFHQRRJFJJCQDJ-UHFFFAOYSA-N

Formula

C7H14

SMILES

CC(C)C1CCC1

Molecular Weight¹

98.19

CAS

872-56-0

Other Names

• Cyclobutane, isopropyl-

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2567		Relay (1.0) Calculated Property
ΔfH°gas	-113.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.40	kJ/mol	Joback Calculated Property
ΔvapH°	34.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.28 ± 0.05	eV	NIST
logPoct/wat	2.442		Crippen Calculated Property
McVol	98.630	ml/mol	McGowan Calculated Property
Pc	3352.86	kPa	Joback Calculated Property
Inp	[690.90; 690.90]
Inp	690.90		NIST
Inp	690.90		NIST
Tboil	[365.70; 365.85]	K
Tboil	365.70 ± 1.00	K	NIST
Tboil	365.85 ± 0.20	K	NIST
Tc	572.90	K	Relay (1.0) Calculated Property
Tfus	[166.72; 166.80]	K
Tfus	166.72 ± 0.20	K	NIST
Tfus	166.80 ± 0.40	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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	[175.61; 254.08]	J/mol×K	[370.33; 560.91]
Cp,gas	175.61	J/mol×K	370.33	Joback Calculated Property
Cp,gas	190.43	J/mol×K	402.09	Joback Calculated Property
Cp,gas	204.52	J/mol×K	433.86	Joback Calculated Property
Cp,gas	217.91	J/mol×K	465.62	Joback Calculated Property
Cp,gas	230.61	J/mol×K	497.38	Joback Calculated Property
Cp,gas	242.66	J/mol×K	529.15	Joback Calculated Property
Cp,gas	254.08	J/mol×K	560.91	Joback Calculated Property
η	[0.0003018; 0.0029826]	Pa×s	[168.07; 370.33]
η	0.0029826	Pa×s	168.07	Joback Calculated Property
η	0.0014801	Pa×s	201.78	Joback Calculated Property
η	0.0008977	Pa×s	235.49	Joback Calculated Property
η	0.0006170	Pa×s	269.20	Joback Calculated Property
η	0.0004611	Pa×s	302.91	Joback Calculated Property
η	0.0003652	Pa×s	336.62	Joback Calculated Property
η	0.0003018	Pa×s	370.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopropylcyclobutane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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