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

• 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).
• 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
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°	76.93	kJ/mol	Joback Calculated Property
log10WS	-6.48		Crippen 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	852.94	K	Joback Calculated Property
Tc	1061.70	K	Joback Calculated Property
Tfus	389.98	K	Joback Calculated Property
Vc	1.161	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[943.02; 1032.82]	J/mol×K	[852.94; 1061.70]
Cp,gas	943.02	J/mol×K	852.94	Joback Calculated Property
Cp,gas	960.17	J/mol×K	887.73	Joback Calculated Property
Cp,gas	976.33	J/mol×K	922.53	Joback Calculated Property
Cp,gas	991.58	J/mol×K	957.32	Joback Calculated Property
Cp,gas	1006.02	J/mol×K	992.11	Joback Calculated Property
Cp,gas	1019.74	J/mol×K	1026.91	Joback Calculated Property
Cp,gas	1032.82	J/mol×K	1061.70	Joback Calculated Property
ΔfusH	34.31	kJ/mol	360.20	NIST

Similar Compounds

Find more compounds similar to Tetraisobutylsucccinonitrile.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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