Chemical Properties of Cyclobutane, 1,2-diethenyl-, trans- (CAS 6553-48-6)

InChI

InChI=1S/C8H12/c1-3-7-5-6-8(7)4-2/h3-4,7-8H,1-2,5-6H2/t7-,8-/m1/s1

InChI Key

UHHCYAAVGADGGP-HTQZYQBOSA-N

Formula

C8H12

SMILES

C=CC1CCC1C=C

Molecular Weight¹

108.18

CAS

6553-48-6

Other Names

• (E)-1,2-Divinylcyclobutane
• Cyclobutane, 1,2-divinyl-, trans-
• Cyclobutane,trans-1,2-diethenyl-
• trans-1,2-Diethenyl-cyclobutane
• trans-1,2-Divinylcyclobutane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4964.30	kJ/mol	NIST
ΔfH°gas	177.00	kJ/mol	NIST
ΔfusH°	11.02	kJ/mol	Joback Calculated Property
ΔvapH°	[38.90; 42.30]	kJ/mol
ΔvapH°	38.90 ± 0.50	kJ/mol	NIST
ΔvapH°	42.30	kJ/mol	NIST
ΔvapH°	42.26	kJ/mol	NIST
ΔvapH°	42.30	kJ/mol	NIST
ΔvapH°	42.26	kJ/mol	NIST
IE	9.20	eV	NIST
logPoct/wat	2.385		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Tboil	385.70	K	NIST
Tfus	196.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[39.00; 39.10]	kJ/mol	[367.00; 367.50]
ΔvapH	39.00 ± 0.50	kJ/mol	367.00	NIST
ΔvapH	39.00 ± 0.50	kJ/mol	367.00	NIST
ΔvapH	39.10	kJ/mol	367.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.50; 363.21]	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			-5.97900e+01
Coefficient B			8.38600e-01
Coefficient C			-5.75600e-04
Coefficient D			1.60000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.50	J/mol×K	273.00	Calculated Property
Cp,gas	171.93	J/mol×K	353.78	Calculated Property
Cp,gas	209.06	J/mol×K	434.56	Calculated Property
Cp,gas	241.40	J/mol×K	515.33	Calculated Property
Cp,gas	269.46	J/mol×K	596.11	Calculated Property
Cp,gas	293.74	J/mol×K	676.89	Calculated Property
Cp,gas	314.75	J/mol×K	757.67	Calculated Property
Cp,gas	333.00	J/mol×K	838.44	Calculated Property
Cp,gas	348.98	J/mol×K	919.22	Calculated Property
Cp,gas	363.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008087; 0.0002687]	Pa×s	[186.58; 402.50]	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			-9.17417e+00
Coefficient B			3.83240e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			186.58
Temperature range, max.			402.50
η	0.0008087	Pa×s	186.58	Calculated Property
η	0.0006399	Pa×s	210.57	Calculated Property
η	0.0005312	Pa×s	234.56	Calculated Property
η	0.0004565	Pa×s	258.55	Calculated Property
η	0.0004025	Pa×s	282.54	Calculated Property
η	0.0003620	Pa×s	306.54	Calculated Property
η	0.0003306	Pa×s	330.53	Calculated Property
η	0.0003056	Pa×s	354.52	Calculated Property
η	0.0002854	Pa×s	378.51	Calculated Property
η	0.0002687	Pa×s	402.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[251.89; 457.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.14746e+01
Coefficient B			-2.81793e+03
Coefficient C			0.00000e+00
Temperature range, min.			251.89
Temperature range, max.			457.23
Pvap	1.33	kPa	251.89	Calculated Property
Pvap	3.38	kPa	274.71	Calculated Property
Pvap	7.41	kPa	297.52	Calculated Property
Pvap	14.55	kPa	320.34	Calculated Property
Pvap	26.12	kPa	343.15	Calculated Property
Pvap	43.58	kPa	365.97	Calculated Property
Pvap	68.48	kPa	388.78	Calculated Property
Pvap	102.34	kPa	411.60	Calculated Property
Pvap	146.62	kPa	434.41	Calculated Property
Pvap	202.66	kPa	457.23	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane, 1,2-diethenyl-, trans-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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