Chemical Properties of CIS-CROTONITRILE (CAS 1190-76-7)

InChI

InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2-

InChI Key

NKKMVIVFRUYPLQ-IHWYPQMZSA-N

Formula

C4H5N

SMILES

C/C=C\C#N

Molecular Weight¹

67.09

CAS

1190-76-7

Other Names

• (E)-2-BUTENENITRILE

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

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	[77.71; 171.59]	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			2.07000e+00
Coefficient B			3.38620e-01
Coefficient C			-2.46600e-04
Coefficient D			7.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	77.71	J/mol×K	273.00	Calculated Property
Cp,gas	94.43	J/mol×K	353.78	Calculated Property
Cp,gas	109.01	J/mol×K	434.56	Calculated Property
Cp,gas	121.69	J/mol×K	515.33	Calculated Property
Cp,gas	132.71	J/mol×K	596.11	Calculated Property
Cp,gas	142.33	J/mol×K	676.89	Calculated Property
Cp,gas	150.78	J/mol×K	757.67	Calculated Property
Cp,gas	158.31	J/mol×K	838.44	Calculated Property
Cp,gas	165.16	J/mol×K	919.22	Calculated Property
Cp,gas	171.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[277.15; 407.53]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50385e+01
Coefficient B			-3.72380e+03
Coefficient C			-2.47040e+01
Temperature range, min.			277.15
Temperature range, max.			407.53
Pvap	1.33	kPa	277.15	Calculated Property
Pvap	2.97	kPa	291.64	Calculated Property
Pvap	6.09	kPa	306.12	Calculated Property
Pvap	11.64	kPa	320.61	Calculated Property
Pvap	20.94	kPa	335.10	Calculated Property
Pvap	35.75	kPa	349.58	Calculated Property
Pvap	58.31	kPa	364.07	Calculated Property
Pvap	91.37	kPa	378.56	Calculated Property
Pvap	138.22	kPa	393.04	Calculated Property
Pvap	202.63	kPa	407.53	Calculated Property

Similar Compounds

Find more compounds similar to CIS-CROTONITRILE.

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
• KDB
• McGowan Method
• The Yaws Handbook of Vapor Pressure

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