Chemical Properties of trans-1,3-Diethenylcyclobutane (CAS 77614-67-6)

InChI

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

InChI Key

AATSALLMQGUKIE-ZKCHVHJHSA-N

Formula

C8H12

SMILES

C=CC1CC(C=C)C1

Molecular Weight¹

108.18

CAS

77614-67-6

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfH°gas	81.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.02	kJ/mol	Joback Calculated Property
ΔvapH°	41.24	kJ/mol	Relay (1.0) Calculated Property
IE	[8.90; 9.28]	eV
IE	8.90	eV	NIST
IE	9.28	eV	NIST
logPoct/wat	2.385		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Tboil	391.96	K	Relay (1.0) Calculated Property
Tfus	201.79	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.

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

Similar Compounds

Find more compounds similar to trans-1,3-Diethenylcyclobutane.

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

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