Chemical Properties of Cycloheptyl cyanide (CAS 32730-85-1)

InChI

InChI=1S/C8H13N/c9-7-8-5-3-1-2-4-6-8/h8H,1-6H2

InChI Key

UIZRDFICGGONJJ-UHFFFAOYSA-N

Formula

C8H13N

SMILES

N#CC1CCCCCC1

Molecular Weight¹

123.20

CAS

32730-85-1

Other Names

• Cycloheptanecarbonitrile

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.56; 395.39]	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			-5.81100e+01
Coefficient B			8.11100e-01
Coefficient C			-4.15000e-04
Coefficient D			5.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.56	J/mol×K	273.00	Calculated Property
Cp,gas	179.44	J/mol×K	353.78	Calculated Property
Cp,gas	220.70	J/mol×K	434.56	Calculated Property
Cp,gas	257.52	J/mol×K	515.33	Calculated Property
Cp,gas	290.08	J/mol×K	596.11	Calculated Property
Cp,gas	318.57	J/mol×K	676.89	Calculated Property
Cp,gas	343.16	J/mol×K	757.67	Calculated Property
Cp,gas	364.04	J/mol×K	838.44	Calculated Property
Cp,gas	381.39	J/mol×K	919.22	Calculated Property
Cp,gas	395.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cycloheptyl 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.
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