Chemical Properties of Tetracyclopropylsuccinonitrile (CAS 19219-01-3)

InChI

InChI=1S/C16H20N2/c17-9-15(11-1-2-11,12-3-4-12)16(10-18,13-5-6-13)14-7-8-14/h11-14H,1-8H2

InChI Key

YJJFFDGLUZTUKN-UHFFFAOYSA-N

Formula

C16H20N2

SMILES

N#CC(C1CC1)(C1CC1)C(C#N)(C1CC1)C1CC1

Molecular Weight¹

240.34

CAS

19219-01-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	537.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	427.00 ± 3.00	kJ/mol	NIST
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔsubH°	[110.00; 110.20]	kJ/mol
ΔsubH°	110.20 ± 1.50	kJ/mol	NIST
ΔsubH°	110.00	kJ/mol	NIST
logPoct/wat	3.646		Crippen Calculated Property
McVol	195.620	ml/mol	McGowan Calculated Property
Tfus	350.65 ± 1.50	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	321.80	J/mol×K	298.15	NIST
ΔfusH	[22.30; 22.30]	kJ/mol	[390.00; 390.00]
ΔfusH	22.30	kJ/mol	390.00	NIST
ΔfusH	22.30	kJ/mol	390.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.97; 719.63]	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			-2.27570e+02
Coefficient B			2.24860e+00
Coefficient C			-2.00900e-03
Coefficient D			7.07600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.97	J/mol×K	273.00	Calculated Property
Cp,gas	347.82	J/mol×K	353.78	Calculated Property
Cp,gas	428.26	J/mol×K	434.56	Calculated Property
Cp,gas	494.52	J/mol×K	515.33	Calculated Property
Cp,gas	548.84	J/mol×K	596.11	Calculated Property
Cp,gas	593.45	J/mol×K	676.89	Calculated Property
Cp,gas	630.60	J/mol×K	757.67	Calculated Property
Cp,gas	662.52	J/mol×K	838.44	Calculated Property
Cp,gas	691.45	J/mol×K	919.22	Calculated Property
Cp,gas	719.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclopropylsuccinonitrile.

Sources

• 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

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