Chemical Properties of 3,4-Epoxybutyl cyanide

InChI

InChI=1S/C5H7NO/c6-3-1-2-5-4-7-5/h5H,1-2,4H2

InChI Key

DRZQOARGLZRJBN-UHFFFAOYSA-N

Formula

C5H7NO

SMILES

N#CCCC1CO1

Molecular Weight¹

97.12

• 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).
• 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°	99.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-40.85	kJ/mol	Joback Calculated Property
ΔfusH°	16.33	kJ/mol	Joback Calculated Property
ΔvapH°	41.62	kJ/mol	Joback Calculated Property
log10WS	-0.88		Crippen Calculated Property
logPoct/wat	0.689		Crippen Calculated Property
McVol	77.700	ml/mol	McGowan Calculated Property
Pc	3896.50	kPa	Joback Calculated Property
I	[1863.00; 1863.00]
I	1863.00		NIST
I	1863.00		NIST
Tboil	449.57	K	Joback Calculated Property
Tc	656.34	K	Joback Calculated Property
Tfus	255.61	K	Joback Calculated Property
Vc	0.320	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.31; 206.01]	J/mol×K	[449.57; 656.34]
Cp,gas	161.31	J/mol×K	449.57	Joback Calculated Property
Cp,gas	170.02	J/mol×K	484.03	Joback Calculated Property
Cp,gas	178.19	J/mol×K	518.49	Joback Calculated Property
Cp,gas	185.84	J/mol×K	552.96	Joback Calculated Property
Cp,gas	193.00	J/mol×K	587.42	Joback Calculated Property
Cp,gas	199.72	J/mol×K	621.88	Joback Calculated Property
Cp,gas	206.01	J/mol×K	656.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Epoxybutyl cyanide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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