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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.33	kJ/mol	Joback Calculated Property
logPoct/wat	0.689		Crippen Calculated Property
McVol	77.700	ml/mol	McGowan Calculated Property
I	[1863.00; 1863.00]
I	1863.00		NIST
I	1863.00		NIST
Tboil	482.83	K	Relay (1.0) Calculated Property

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	[106.85; 253.02]	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			-1.75780e+01
Coefficient B			5.61500e-01
Coefficient C			-4.23500e-04
Coefficient D			1.32600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	106.85	J/mol×K	273.00	Calculated Property
Cp,gas	133.93	J/mol×K	353.78	Calculated Property
Cp,gas	157.33	J/mol×K	434.56	Calculated Property
Cp,gas	177.46	J/mol×K	515.33	Calculated Property
Cp,gas	194.74	J/mol×K	596.11	Calculated Property
Cp,gas	209.58	J/mol×K	676.89	Calculated Property
Cp,gas	222.41	J/mol×K	757.67	Calculated Property
Cp,gas	233.65	J/mol×K	838.44	Calculated Property
Cp,gas	243.71	J/mol×K	919.22	Calculated Property
Cp,gas	253.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.