Chemical Properties of Cyclobutane, methyl- (CAS 598-61-8)

InChI

InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3

InChI Key

BDJAEZRIGNCQBZ-UHFFFAOYSA-N

Formula

C5H10

SMILES

CC1CCC1

Molecular Weight¹

70.13

CAS

598-61-8

Other Names

• 1-Methylcyclobutane
• Methylcyclobutane

• ω : Acentric Factor.
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2161		Relay (1.0) Calculated Property
ΔcH°gas	-3352.00 ± 1.30	kJ/mol	NIST
ΔfG°	39.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-50.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.74	kJ/mol	Joback Calculated Property
ΔvapH°	25.27	kJ/mol	Relay (1.0) Calculated Property
IE	[9.60; 9.64]	eV
IE	9.64 ± 0.05	eV	NIST
IE	9.60	eV	NIST
log10WS	-3.12		Relay (1.0) Calculated Property
logPoct/wat	1.806		Crippen Calculated Property
McVol	70.450	ml/mol	McGowan Calculated Property
Pc	4200.18	kPa	Joback Calculated Property
Inp	[513.00; 538.90]
Inp	535.50		NIST
Inp	538.90		NIST
Inp	513.00		NIST
Tboil	[309.45; 314.00]	K
Tboil	309.50	K	NIST
Tboil	310.00 ± 2.00	K	NIST
Tboil	313.70 ± 6.00	K	NIST
Tboil	309.45 ± 1.00	K	NIST
Tboil	313.70 ± 1.00	K	NIST
Tboil	314.00 ± 5.00	K	NIST
Tboil	313.65 ± 3.00	K	NIST
Tc	501.32	K	Relay (1.0) Calculated Property
Tfus	117.97	K	Relay (1.0) Calculated Property
Vc	0.255	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[5.76; 5.76]	kJ/mol	[138.60; 138.60]
ΔfusH	5.76	kJ/mol	138.60	NIST
ΔfusH	5.76	kJ/mol	138.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[83.22; 258.80]	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			-5.70200e+01
Coefficient B			6.20120e-01
Coefficient C			-4.22000e-04
Coefficient D			1.17700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	83.22	J/mol×K	273.00	Calculated Property
Cp,gas	114.76	J/mol×K	353.78	Calculated Property
Cp,gas	142.43	J/mol×K	434.56	Calculated Property
Cp,gas	166.59	J/mol×K	515.33	Calculated Property
Cp,gas	187.62	J/mol×K	596.11	Calculated Property
Cp,gas	205.88	J/mol×K	676.89	Calculated Property
Cp,gas	221.76	J/mol×K	757.67	Calculated Property
Cp,gas	235.63	J/mol×K	838.44	Calculated Property
Cp,gas	247.85	J/mol×K	919.22	Calculated Property
Cp,gas	258.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010796; 0.0002082]	Pa×s	[160.53; 358.19]	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			-9.81358e+00
Coefficient B			4.78770e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			160.53
Temperature range, max.			358.19
η	0.0010796	Pa×s	160.53	Calculated Property
η	0.0007540	Pa×s	182.49	Calculated Property
η	0.0005689	Pa×s	204.45	Calculated Property
η	0.0004533	Pa×s	226.42	Calculated Property
η	0.0003760	Pa×s	248.38	Calculated Property
η	0.0003215	Pa×s	270.34	Calculated Property
η	0.0002814	Pa×s	292.30	Calculated Property
η	0.0002510	Pa×s	314.26	Calculated Property
η	0.0002272	Pa×s	336.23	Calculated Property
η	0.0002082	Pa×s	358.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[219.76; 335.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37385e+01
Coefficient B			-2.61286e+03
Coefficient C			-2.55090e+01
Temperature range, min.			219.76
Temperature range, max.			335.56
Pvap	1.33	kPa	219.76	Calculated Property
Pvap	3.07	kPa	232.63	Calculated Property
Pvap	6.43	kPa	245.49	Calculated Property
Pvap	12.40	kPa	258.36	Calculated Property
Pvap	22.31	kPa	271.23	Calculated Property
Pvap	37.87	kPa	284.09	Calculated Property
Pvap	61.13	kPa	296.96	Calculated Property
Pvap	94.50	kPa	309.83	Calculated Property
Pvap	140.68	kPa	322.69	Calculated Property
Pvap	202.62	kPa	335.56	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane, methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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