Chemical Properties of Tetraisobutylsucccinonitrile (CAS 85688-86-4)

InChI

InChI=1S/C20H36N2/c1-15(2)9-19(13-21,10-16(3)4)20(14-22,11-17(5)6)12-18(7)8/h15-18H,9-12H2,1-8H3

InChI Key

KSZZCMITDIGDPJ-UHFFFAOYSA-N

Formula

C20H36N2

SMILES

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

Molecular Weight¹

304.51

CAS

85688-86-4

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• 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
ω	0.6592		Relay (1.0) Calculated Property
ΔcH°solid	-12750.70 ± 3.70	kJ/mol	NIST
ΔfG°	379.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-111.70	kJ/mol	NIST
ΔfH°solid	-264.40 ± 3.70	kJ/mol	NIST
ΔfusH°	21.65	kJ/mol	Joback Calculated Property
ΔsubH°	[152.70; 152.70]	kJ/mol
ΔsubH°	152.70	kJ/mol	NIST
ΔsubH°	152.70	kJ/mol	NIST
ΔvapH°	88.54	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-7.32		Relay (1.0) Calculated Property
logPoct/wat	6.191		Crippen Calculated Property
McVol	295.420	ml/mol	McGowan Calculated Property
Pc	1028.60	kPa	Joback Calculated Property
Tboil	598.76	K	Relay (1.0) Calculated Property
Tc	788.13	K	Relay (1.0) Calculated Property
Tfus	343.25	K	Relay (1.0) Calculated Property
Vc	1.021	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.33; 1009.19]	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			-3.69660e+01
Coefficient B			2.04876e+00
Coefficient C			-1.35860e-03
Coefficient D			3.56000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.33	J/mol×K	273.00	Calculated Property
Cp,gas	533.56	J/mol×K	353.78	Calculated Property
Cp,gas	625.99	J/mol×K	434.56	Calculated Property
Cp,gas	706.75	J/mol×K	515.33	Calculated Property
Cp,gas	776.96	J/mol×K	596.11	Calculated Property
Cp,gas	837.74	J/mol×K	676.89	Calculated Property
Cp,gas	890.24	J/mol×K	757.67	Calculated Property
Cp,gas	935.56	J/mol×K	838.44	Calculated Property
Cp,gas	974.83	J/mol×K	919.22	Calculated Property
Cp,gas	1009.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tetraisobutylsucccinonitrile.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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