Chemical Properties of 1,2-Cyclobutane dicarbonyl chloride, trans-

InChI

InChI=1S/C6H6Cl2O2/c7-5(9)3-1-2-4(3)6(8)10/h3-4H,1-2H2

InChI Key

UKHMRFDNOROHOX-UHFFFAOYSA-N

Formula

C6H6Cl2O2

SMILES

O=C(Cl)C1CCC1C(=O)Cl

Molecular Weight¹

181.02

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[135.35; 311.63]	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			-1.14900e+01
Coefficient B			6.46200e-01
Coefficient C			-4.24400e-04
Coefficient D			1.01320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.35	J/mol×K	273.00	Calculated Property
Cp,gas	168.49	J/mol×K	353.78	Calculated Property
Cp,gas	197.49	J/mol×K	434.56	Calculated Property
Cp,gas	222.68	J/mol×K	515.33	Calculated Property
Cp,gas	244.37	J/mol×K	596.11	Calculated Property
Cp,gas	262.89	J/mol×K	676.89	Calculated Property
Cp,gas	278.55	J/mol×K	757.67	Calculated Property
Cp,gas	291.68	J/mol×K	838.44	Calculated Property
Cp,gas	302.60	J/mol×K	919.22	Calculated Property
Cp,gas	311.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027947; 0.0007337]	Pa×s	[327.26; 525.48]	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			-9.42540e+00
Coefficient B			1.16026e+03
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.			327.26
Temperature range, max.			525.48
η	0.0027947	Pa×s	327.26	Calculated Property
η	0.0022349	Pa×s	349.28	Calculated Property
η	0.0018352	Pa×s	371.31	Calculated Property
η	0.0015406	Pa×s	393.33	Calculated Property
η	0.0013175	Pa×s	415.36	Calculated Property
η	0.0011447	Pa×s	437.38	Calculated Property
η	0.0010080	Pa×s	459.40	Calculated Property
η	0.0008980	Pa×s	481.43	Calculated Property
η	0.0008081	Pa×s	503.45	Calculated Property
η	0.0007337	Pa×s	525.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclobutane dicarbonyl chloride, 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

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