Chemical Properties of 2-Butenenitrile (CAS 4786-20-3)

InChI

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

InChI Key

NKKMVIVFRUYPLQ-UHFFFAOYSA-N

Formula

C4H5N

SMILES

CC=CC#N

Molecular Weight¹

67.09

CAS

4786-20-3

Other Names

• 1-Cyano-1-propylene
• 1-Cyanopropene
• 1-Propenyl cyanide
• Croton acid nitrile
• Crotonic nitrile
• Crotonique nitrile
• Crotonitrile
• Crotonnitrile
• Crotononitrile
• NSC 165574
• cis or trans-crotononitrile
• trans or cis-crotononitrile
• «beta»-Methylacrylonitrile
• «beta»-Methylacrylonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	196.20	kJ/mol	Joback Calculated Property
ΔfH°gas	156.21	kJ/mol	Joback Calculated Property
ΔfusH°	7.82	kJ/mol	Joback Calculated Property
ΔvapH°	34.93	kJ/mol	Joback Calculated Property
log10WS	-1.22		Crippen Calculated Property
logPoct/wat	1.086		Crippen Calculated Property
McVol	64.300	ml/mol	McGowan Calculated Property
Pc	4031.24	kPa	Joback Calculated Property
Inp	[619.80; 697.00]
Inp	661.00		NIST
Inp	664.00		NIST
Inp	619.80		NIST
Inp	647.20		NIST
Inp	624.00		NIST
Inp	624.00		NIST
Inp	664.00		NIST
Inp	664.00		NIST
Inp	Outlier 697.00		NIST
Inp	661.00		NIST
Inp	624.00		NIST
Inp	664.00		NIST
I	[1162.00; 1162.00]
I	1162.00		NIST
I	1162.00		NIST
I	1162.00		NIST
Tboil	393.70	K	NIST
Tc	599.62	K	Joback Calculated Property
Tfus	194.75	K	Joback Calculated Property
Vc	0.266	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.51; 133.16]	J/mol×K	[397.16; 599.62]
Cp,gas	102.51	J/mol×K	397.16	Joback Calculated Property
Cp,gas	108.39	J/mol×K	430.90	Joback Calculated Property
Cp,gas	113.94	J/mol×K	464.65	Joback Calculated Property
Cp,gas	119.18	J/mol×K	498.39	Joback Calculated Property
Cp,gas	124.11	J/mol×K	532.13	Joback Calculated Property
Cp,gas	128.76	J/mol×K	565.87	Joback Calculated Property
Cp,gas	133.16	J/mol×K	599.62	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[289.92; 419.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46058e+01
Coefficient B			-3.42685e+03
Coefficient C			-5.05850e+01
Temperature range, min.			289.92
Temperature range, max.			419.29
Pvap	1.33	kPa	289.92	Calculated Property
Pvap	3.00	kPa	304.29	Calculated Property
Pvap	6.19	kPa	318.67	Calculated Property
Pvap	11.86	kPa	333.04	Calculated Property
Pvap	21.35	kPa	347.42	Calculated Property
Pvap	36.39	kPa	361.79	Calculated Property
Pvap	59.17	kPa	376.17	Calculated Property
Pvap	92.34	kPa	390.54	Calculated Property
Pvap	139.00	kPa	404.92	Calculated Property
Pvap	202.66	kPa	419.29	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenenitrile.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.