Chemical Properties of Cyclobutene (CAS 822-35-5)

InChI

InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2

InChI Key

CFBGXYDUODCMNS-UHFFFAOYSA-N

Formula

C4H6

SMILES

C1=CCC1

Molecular Weight¹

54.09

CAS

822-35-5

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_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).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1890		KDB
PAff	784.40	kJ/mol	NIST
BasG	753.60	kJ/mol	NIST
ΔcH°gas	-2588.20 ± 1.50	kJ/mol	NIST
ΔfG°	69.12	kJ/mol	Joback Calculated Property
ΔfH°gas	157.00 ± 2.00	kJ/mol	NIST
ΔfusH°	2.30	kJ/mol	Joback Calculated Property
ΔvapH°	25.18	kJ/mol	Joback Calculated Property
IE	[9.43; 9.59]	eV
IE	9.43 ± 0.02	eV	NIST
IE	9.43 ± 0.02	eV	NIST
IE	9.43	eV	NIST
IE	Outlier 9.59	eV	NIST
IE	9.43 ± 0.03	eV	NIST
IE	9.43	eV	NIST
log10WS	-1.25		Crippen Calculated Property
logPoct/wat	1.336		Crippen Calculated Property
McVol	52.060	ml/mol	McGowan Calculated Property
Pc	5270.00	kPa	KDB
Inp	[432.00; 434.00]
Inp	432.00		NIST
Inp	433.00		NIST
Inp	433.00		NIST
Inp	434.00		NIST
Tboil	[275.20; 275.80]	K
Tboil	275.80	K	KDB
Tboil	275.20	K	NIST
Tc	446.30	K	KDB
Tfus	154.00	K	KDB
Vc	0.196	m3/kmol	KDB
Zc	0.2776480		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[62.86; 107.27]	J/mol×K	[305.76; 494.92]
T(K) Ideal gas heat capacity (J/mol×K) 60 70 80 90 100 110 350 400 450
Cp,gas	62.86	J/mol×K	305.76	Joback Calculated Property
Cp,gas	71.52	J/mol×K	337.29	Joback Calculated Property
Cp,gas	79.64	J/mol×K	368.81	Joback Calculated Property
Cp,gas	87.25	J/mol×K	400.34	Joback Calculated Property
Cp,gas	94.37	J/mol×K	431.86	Joback Calculated Property
Cp,gas	101.04	J/mol×K	463.39	Joback Calculated Property
Cp,gas	107.27	J/mol×K	494.92	Joback Calculated Property
η	[0.0002125; 0.0011908]	Pa×s	[154.26; 305.76]
T(K) Dynamic viscosity (Pa×s) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 200 250 300
η	0.0011908	Pa×s	154.26	Joback Calculated Property
η	0.0007300	Pa×s	179.51	Joback Calculated Property
η	0.0005050	Pa×s	204.76	Joback Calculated Property
η	0.0003788	Pa×s	230.01	Joback Calculated Property
η	0.0003007	Pa×s	255.26	Joback Calculated Property
η	0.0002489	Pa×s	280.51	Joback Calculated Property
η	0.0002125	Pa×s	305.76	Joback Calculated Property
ΔvapH	[24.60; 25.81]	kJ/mol	[235.50; 275.80]
ΔvapH	24.60	kJ/mol	235.50	NIST
ΔvapH	24.70	kJ/mol	240.50	NIST
ΔvapH	25.81	kJ/mol	275.80	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.18; 207.71]	kPa	[196.15; 295.08]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45824e+01
Coefficient B			-2.55142e+03
Coefficient C			-1.91380e+01
Temperature range, min.			196.15
Temperature range, max.			295.08
T(K) Vapor pressure (kPa) 0 50 100 150 200 200 250
Pvap	1.18	kPa	196.15	Calculated Property
Pvap	2.75	kPa	207.14	Calculated Property
Pvap	5.82	kPa	218.13	Calculated Property
Pvap	11.38	kPa	229.13	Calculated Property
Pvap	20.83	kPa	240.12	Calculated Property
Pvap	36.00	kPa	251.11	Calculated Property
Pvap	59.22	kPa	262.10	Calculated Property
Pvap	93.29	kPa	273.10	Calculated Property
Pvap	141.54	kPa	284.09	Calculated Property
Pvap	207.71	kPa	295.08	Calculated Property
Pvap	[1.20; 5345.77]	kPa	[196.15; 446.33]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.11908e+01
Coefficient B			-4.13962e+03
Coefficient C			-5.72351e+00
Coefficient D			7.96917e-06
Temperature range, min.			196.15
Temperature range, max.			446.33
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 200 300 400
Pvap	1.20	kPa	196.15	Calculated Property
Pvap	8.44	kPa	223.95	Calculated Property
Pvap	36.97	kPa	251.75	Calculated Property
Pvap	117.17	kPa	279.54	Calculated Property
Pvap	296.00	kPa	307.34	Calculated Property
Pvap	635.43	kPa	335.14	Calculated Property
Pvap	1210.67	kPa	362.94	Calculated Property
Pvap	2111.04	kPa	390.73	Calculated Property
Pvap	3444.43	kPa	418.53	Calculated Property
Pvap	5345.77	kPa	446.33	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutene.

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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