Chemical Properties of pent-4-enenitrile (CAS 592-51-8)

InChI

InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2

InChI Key

CFEYBLWMNFZOPB-UHFFFAOYSA-N

Formula

C5H7N

SMILES

C=CCCC#N

Molecular Weight¹

81.12

CAS

592-51-8

Other Names

• 4-pentenenitrile
• But-3-enyl cyanide

• ω : Acentric Factor.
• 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).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3622		Relay (1.0) Calculated Property
ΔfH°gas	154.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.93	kJ/mol	Joback Calculated Property
ΔvapH°	44.68	kJ/mol	Relay (1.0) Calculated Property
IE	10.77	eV	Relay (1.0) Calculated Property
log10WS	-0.84		Relay (1.0) Calculated Property
logPoct/wat	1.476		Crippen Calculated Property
McVol	78.390	ml/mol	McGowan Calculated Property
Pc	3538.87	kPa	Joback Calculated Property
Inp	[731.00; 744.00]
Inp	742.00		NIST
Inp	744.00		NIST
Inp	735.00		NIST
Inp	731.00		NIST
Inp	744.00		NIST
Inp	742.00		NIST
I	[1244.00; 1275.00]
I	1275.00		NIST
I	1244.00		NIST
I	1275.00		NIST
I	1275.00		NIST
I	1244.00		NIST
Tboil	413.20	K	NIST
Tc	586.79	K	Relay (1.0) Calculated Property
Tfus	165.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[138.04; 176.15]	J/mol×K	[412.56; 607.39]
Cp,gas	138.04	J/mol×K	412.56	Joback Calculated Property
Cp,gas	145.20	J/mol×K	445.03	Joback Calculated Property
Cp,gas	152.02	J/mol×K	477.50	Joback Calculated Property
Cp,gas	158.51	J/mol×K	509.97	Joback Calculated Property
Cp,gas	164.69	J/mol×K	542.44	Joback Calculated Property
Cp,gas	170.57	J/mol×K	574.91	Joback Calculated Property
Cp,gas	176.15	J/mol×K	607.39	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[305.52; 439.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46534e+01
Coefficient B			-3.58448e+03
Coefficient C			-5.60060e+01
Temperature range, min.			305.52
Temperature range, max.			439.70
Pvap	1.33	kPa	305.52	Calculated Property
Pvap	3.00	kPa	320.43	Calculated Property
Pvap	6.18	kPa	335.34	Calculated Property
Pvap	11.84	kPa	350.25	Calculated Property
Pvap	21.30	kPa	365.16	Calculated Property
Pvap	36.31	kPa	380.06	Calculated Property
Pvap	59.07	kPa	394.97	Calculated Property
Pvap	92.23	kPa	409.88	Calculated Property
Pvap	138.90	kPa	424.79	Calculated Property
Pvap	202.63	kPa	439.70	Calculated Property

Similar Compounds

Find more compounds similar to pent-4-enenitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
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