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°	40.41	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	204.39	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
Cp,gas	[185.55; 262.41]	J/mol×K	[382.14; 574.70]
Cp,gas	185.55	J/mol×K	382.14	Joback Calculated Property
Cp,gas	200.19	J/mol×K	414.23	Joback Calculated Property
Cp,gas	214.06	J/mol×K	446.33	Joback Calculated Property
Cp,gas	227.19	J/mol×K	478.42	Joback Calculated Property
Cp,gas	239.60	J/mol×K	510.51	Joback Calculated Property
Cp,gas	251.33	J/mol×K	542.61	Joback Calculated Property
Cp,gas	262.41	J/mol×K	574.70	Joback Calculated Property
η	[0.0002827; 0.0008087]	Pa×s	[186.58; 382.14]
η	0.0008087	Pa×s	186.58	Joback Calculated Property
η	0.0005958	Pa×s	219.17	Joback Calculated Property
η	0.0004751	Pa×s	251.77	Joback Calculated Property
η	0.0003990	Pa×s	284.36	Joback Calculated Property
η	0.0003474	Pa×s	316.95	Joback Calculated Property
η	0.0003104	Pa×s	349.55	Joback Calculated Property
η	0.0002827	Pa×s	382.14	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.