Chemical Properties of Cyclobutane (CAS 287-23-0)

InChI

InChI=1S/C4H8/c1-2-4-3-1/h1-4H2

InChI Key

PMPVIKIVABFJJI-UHFFFAOYSA-N

Formula

C4H8

SMILES

C1CCC1

Molecular Weight¹

56.11

CAS

287-23-0

Other Names

• TETRAMETHYLENE
• UN 2601

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1810		KDB
ΔcH°liquid	[-2720.50; -2720.40]	kJ/mol
ΔcH°liquid	-2720.40 ± 0.50	kJ/mol	NIST
ΔcH°liquid	-2720.50 ± 0.40	kJ/mol	NIST
ΔfG°	110.10	kJ/mol	KDB
Δc,grossH	2720.56	kJ/mol	KDB
Δc,netH	2544.541	kJ/mol	KDB
ΔfH°gas	26.67	kJ/mol	KDB
ΔfusH°	1.08	kJ/mol	Joback Calculated Property
ΔvapH°	[23.20; 23.92]	kJ/mol
ΔvapH°	23.92	kJ/mol	NIST
ΔvapH°	23.20	kJ/mol	NIST
ΔvapH°	23.30 ± 0.40	kJ/mol	NIST
IE	[9.60; 10.70]	eV
IE	9.80 ± 0.10	eV	NIST
IE	9.82 ± 0.05	eV	NIST
IE	9.60 ± 0.10	eV	NIST
IE	9.92 ± 0.05	eV	NIST
IE	10.06	eV	NIST
IE	10.30	eV	NIST
IE	10.70 ± 0.10	eV	NIST
IE	10.70 ± 0.10	eV	NIST
log10WS	-1.39		Crippen Calculated Property
logPoct/wat	1.560		Crippen Calculated Property
McVol	56.360	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	1		KDB
Pc	4980.00	kPa	KDB
Inp	[462.00; 467.00]
Inp	462.00		NIST
Inp	464.00		NIST
Inp	465.00		NIST
Inp	467.00		NIST
S°liquid	175.15	J/mol×K	NIST
Tboil	[277.90; 285.73]	K
Tboil	285.70	K	KDB
Tboil	285.70	K	NIST
Tboil	285.70	K	NIST
Tboil	284.00 ± 2.00	K	NIST
Tboil	285.73 ± 0.40	K	NIST
Tboil	284.45 ± 1.00	K	NIST
Tboil	284.40 ± 1.00	K	NIST
Tboil	285.70 ± 0.60	K	NIST
Tboil	Outlier 277.90 ± 8.00	K	NIST
Tboil	284.65 ± 2.00	K	NIST
Tc	460.00	K	KDB
Tfus	[182.48; 273.14]	K
Tfus	182.48	K	KDB
Tfus	183.00 ± 1.00	K	NIST
Tfus	193.00 ± 3.00	K	NIST
Tfus	273.14 ± 3.00	K	NIST
Ttriple	[181.94; 183.00]	K
Ttriple	182.56 ± 0.20	K	NIST
Ttriple	182.56 ± 0.20	K	NIST
Ttriple	182.79 ± 0.10	K	NIST
Ttriple	181.94 ± 0.30	K	NIST
Ttriple	182.45 ± 0.07	K	NIST
Ttriple	182.07 ± 0.30	K	NIST
Ttriple	182.42 ± 0.07	K	NIST
Ttriple	182.45 ± 0.10	K	NIST
Ttriple	182.07 ± 0.20	K	NIST
Ttriple	182.42 ± 0.10	K	NIST
Ttriple	181.94 ± 0.30	K	NIST
Ttriple	183.00 ± 3.00	K	NIST
Vc	0.210	m3/kmol	KDB
Zc	0.2734350		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[71.17; 123.30]	J/mol×K	[306.60; 493.72]
T(K) Ideal gas heat capacity (J/mol×K) 70 80 90 100 110 120 350 400 450
Cp,gas	71.17	J/mol×K	306.60	Joback Calculated Property
Cp,gas	81.17	J/mol×K	337.79	Joback Calculated Property
Cp,gas	90.62	J/mol×K	368.97	Joback Calculated Property
Cp,gas	99.53	J/mol×K	400.16	Joback Calculated Property
Cp,gas	107.93	J/mol×K	431.35	Joback Calculated Property
Cp,gas	115.85	J/mol×K	462.53	Joback Calculated Property
Cp,gas	123.30	J/mol×K	493.72	Joback Calculated Property
Cp,liquid	106.32	J/mol×K	285.00	NIST
η	[0.0002474; 0.0019353]	Pa×s	[153.50; 306.60]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 150 200 250 300
η	0.0019353	Pa×s	153.50	Joback Calculated Property
η	0.0010758	Pa×s	179.02	Joback Calculated Property
η	0.0006924	Pa×s	204.53	Joback Calculated Property
η	0.0004914	Pa×s	230.05	Joback Calculated Property
η	0.0003735	Pa×s	255.57	Joback Calculated Property
η	0.0002984	Pa×s	281.08	Joback Calculated Property
η	0.0002474	Pa×s	306.60	Joback Calculated Property
ΔfusH	[1.09; 5.71]	kJ/mol	[145.70; 182.40]
ΔfusH	5.71	kJ/mol	145.70	NIST
ΔfusH	1.09	kJ/mol	182.40	NIST
ΔfusH	1.09	kJ/mol	182.40	NIST
ΔsubH	36.40	kJ/mol	145.00	NIST
ΔvapH	[5.78; 25.20]	kJ/mol	[242.50; 559.00]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 5 10 15 20 25 300 400 500
ΔvapH	25.20	kJ/mol	242.50	NIST
ΔvapH	25.20	kJ/mol	251.00	NIST
ΔvapH	24.19	kJ/mol	285.66	NIST
ΔvapH	24.18	kJ/mol	285.70	KDB
ΔvapH	24.19	kJ/mol	285.70	NIST
ΔvapH	5.78	kJ/mol	559.00	NIST
n0	1.36200		298.15	KDB
ρl	694.00	kg/m3	293.00	KDB
ΔfusS	[5.96; 39.17]	J/mol×K	[145.70; 182.40]
ΔfusS	39.17	J/mol×K	145.70	NIST
ΔfusS	5.96	J/mol×K	182.40	NIST
ΔvapS	84.67	J/mol×K	285.66	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.17; 202.67]	kPa	[182.48; 303.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45761e+01
Coefficient B			-2.59227e+03
Coefficient C			-2.36740e+01
Temperature range, min.			182.48
Temperature range, max.			303.48
T(K) Vapor pressure (kPa) 0 50 100 150 200 200 250 300
Pvap	0.17	kPa	182.48	Calculated Property
Pvap	0.62	kPa	195.92	Calculated Property
Pvap	1.85	kPa	209.37	Calculated Property
Pvap	4.75	kPa	222.81	Calculated Property
Pvap	10.83	kPa	236.26	Calculated Property
Pvap	22.36	kPa	249.70	Calculated Property
Pvap	42.57	kPa	263.15	Calculated Property
Pvap	75.69	kPa	276.59	Calculated Property
Pvap	126.97	kPa	290.04	Calculated Property
Pvap	202.67	kPa	303.48	Calculated Property
Pvap	[0.18; 4957.09]	kPa	[182.48; 460.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.98565e+01
Coefficient B			-4.57855e+03
Coefficient C			-7.06594e+00
Coefficient D			9.11328e-06
Temperature range, min.			182.48
Temperature range, max.			460.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 200 300 400
Pvap	0.18	kPa	182.48	Calculated Property
Pvap	2.50	kPa	213.32	Calculated Property
Pvap	16.44	kPa	244.15	Calculated Property
Pvap	67.23	kPa	274.99	Calculated Property
Pvap	200.16	kPa	305.82	Calculated Property
Pvap	479.21	kPa	336.66	Calculated Property
Pvap	984.29	kPa	367.49	Calculated Property
Pvap	1812.16	kPa	398.33	Calculated Property
Pvap	3083.55	kPa	429.16	Calculated Property
Pvap	4957.09	kPa	460.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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