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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.33; 362.52]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.05200e+01
Coefficient B			8.16040e-01
Coefficient C			-5.34000e-04
Coefficient D			1.41000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.33	J/mol×K	273.00	Calculated Property
Cp,gas	167.59	J/mol×K	353.78	Calculated Property
Cp,gas	204.83	J/mol×K	434.56	Calculated Property
Cp,gas	237.50	J/mol×K	515.33	Calculated Property
Cp,gas	266.04	J/mol×K	596.11	Calculated Property
Cp,gas	290.91	J/mol×K	676.89	Calculated Property
Cp,gas	312.55	J/mol×K	757.67	Calculated Property
Cp,gas	331.40	J/mol×K	838.44	Calculated Property
Cp,gas	347.91	J/mol×K	919.22	Calculated Property
Cp,gas	362.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030825; 0.0002709]	Pa×s	[166.76; 392.64]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.00091e+01
Coefficient B			7.04910e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			166.76
Temperature range, max.			392.64
η	0.0030825	Pa×s	166.76	Calculated Property
η	0.0017732	Pa×s	191.86	Calculated Property
η	0.0011592	Pa×s	216.96	Calculated Property
η	0.0008277	Pa×s	242.05	Calculated Property
η	0.0006296	Pa×s	267.15	Calculated Property
η	0.0005019	Pa×s	292.25	Calculated Property
η	0.0004147	Pa×s	317.35	Calculated Property
η	0.0003524	Pa×s	342.44	Calculated Property
η	0.0003062	Pa×s	367.54	Calculated Property
η	0.0002709	Pa×s	392.64	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

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.
These property values are available through the Cheméo API. A free account gives you an access key.