Chemical Properties of NERYL NITRILE

InChI

InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-

InChI Key

HLCSDJLATUNSSI-YFHOEESVSA-N

Formula

C10H15N

SMILES

CC(C)=CCC/C(C)=C\C#N

Molecular Weight¹

149.24

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	83.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.95	kJ/mol	Joback Calculated Property
ΔvapH°	62.89	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	3.203		Crippen Calculated Property
McVol	144.540	ml/mol	McGowan Calculated Property
Inp	[1227.00; 1227.00]
Inp	1227.00		NIST
Inp	1227.00		NIST
Tboil	498.16	K	Relay (1.0) Calculated Property
Tfus	218.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[191.30; 450.01]	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			-1.69480e+01
Coefficient B			9.28460e-01
Coefficient C			-6.61400e-04
Coefficient D			1.99900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.30	J/mol×K	273.00	Calculated Property
Cp,gas	237.59	J/mol×K	353.78	Calculated Property
Cp,gas	278.03	J/mol×K	434.56	Calculated Property
Cp,gas	313.23	J/mol×K	515.33	Calculated Property
Cp,gas	343.83	J/mol×K	596.11	Calculated Property
Cp,gas	370.47	J/mol×K	676.89	Calculated Property
Cp,gas	393.78	J/mol×K	757.67	Calculated Property
Cp,gas	414.38	J/mol×K	838.44	Calculated Property
Cp,gas	432.92	J/mol×K	919.22	Calculated Property
Cp,gas	450.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to NERYL NITRILE.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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