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	-2.59		Relay (1.0) 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,liquid	[90.03; 109.30]	J/mol×K	[190.00; 298.15]
Cp,liquid	90.03	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	91.08	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	92.29	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	93.64	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	95.15	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	96.80	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	98.60	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	100.50	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	102.60	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	103.30	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	104.90	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	106.32	J/mol×K	285.00	NIST
Cp,liquid	107.30	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	109.30	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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]
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
Cp,gas	[59.74; 200.55]	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			-6.20500e+01
Coefficient B			5.51600e-01
Coefficient C			-4.23000e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	59.74	J/mol×K	273.00	Calculated Property
Cp,gas	86.08	J/mol×K	353.78	Calculated Property
Cp,gas	108.77	J/mol×K	434.56	Calculated Property
Cp,gas	128.21	J/mol×K	515.33	Calculated Property
Cp,gas	144.84	J/mol×K	596.11	Calculated Property
Cp,gas	159.07	J/mol×K	676.89	Calculated Property
Cp,gas	171.33	J/mol×K	757.67	Calculated Property
Cp,gas	182.05	J/mol×K	838.44	Calculated Property
Cp,gas	191.65	J/mol×K	919.22	Calculated Property
Cp,gas	200.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006586; 0.0002242]	Pa×s	[207.91; 322.00]	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			-1.03667e+01
Coefficient B			6.32300e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			207.91
Temperature range, max.			322.00
η	0.0006586	Pa×s	207.91	Calculated Property
η	0.0005530	Pa×s	220.58	Calculated Property
η	0.0004732	Pa×s	233.26	Calculated Property
η	0.0004115	Pa×s	245.94	Calculated Property
η	0.0003628	Pa×s	258.61	Calculated Property
η	0.0003236	Pa×s	271.29	Calculated Property
η	0.0002916	Pa×s	283.97	Calculated Property
η	0.0002651	Pa×s	296.65	Calculated Property
η	0.0002430	Pa×s	309.32	Calculated Property
η	0.0002242	Pa×s	322.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.17; 202.67]	kPa	[182.48; 303.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			5.98565e+01
Coefficient B			-4.57855e+03
Coefficient C			-7.06594e+00
Coefficient D			9.11328e-06
Coefficient E			0.00000e+00
Temperature range, min.			182.48
Temperature range, max.			460.00
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
Pvap	[2.49; 100.21]	kPa	[213.22; 285.34]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39800e+01
Coefficient B			-2.39010e+03
Coefficient C			-3.03340e+01
Reference			Rathjens and Gwinn, 1953
Temperature range, min.			213.22
Temperature range, max.			285.34
Pvap	2.49	kPa	213.22	Calculated Property
Pvap	4.30	kPa	221.23	Calculated Property
Pvap	7.13	kPa	229.25	Calculated Property
Pvap	11.35	kPa	237.26	Calculated Property
Pvap	17.46	kPa	245.27	Calculated Property
Pvap	26.04	kPa	253.29	Calculated Property
Pvap	37.78	kPa	261.30	Calculated Property
Pvap	53.45	kPa	269.31	Calculated Property
Pvap	73.93	kPa	277.33	Calculated Property
Pvap	100.21	kPa	285.34	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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