Chemical Properties of 18,22,26,30-Tetramethyl-tritriacontyl cyanide

InChI

InChI=1S/C38H75N/c1-6-26-35(2)28-23-30-37(4)32-25-33-38(5)31-24-29-36(3)27-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-34-39/h35-38H,6-33H2,1-5H3

InChI Key

DJVXQHSHENJAMM-UHFFFAOYSA-N

Formula

C38H75N

SMILES

CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCC#N

Molecular Weight¹

546.01

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• 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	1.4091		Relay (1.0) Calculated Property
ΔfG°	392.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-777.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.59	kJ/mol	Joback Calculated Property
ΔvapH°	173.82	kJ/mol	Relay (1.0) Calculated Property
IE	10.67	eV	Relay (1.0) Calculated Property
log10WS	-12.81		Relay (1.0) Calculated Property
logPoct/wat	13.997		Crippen Calculated Property
McVol	547.660	ml/mol	McGowan Calculated Property
Pc	423.55	kPa	Joback Calculated Property
Inp	[3876.00; 3876.00]
Inp	3876.00		NIST
Inp	3876.00		NIST
Tboil	731.06	K	Relay (1.0) Calculated Property
Tc	938.31	K	Relay (1.0) Calculated Property
Tfus	290.31	K	Relay (1.0) Calculated Property
Vc	2.064	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2078.42; 2254.32]	J/mol×K	[1169.16; 1532.73]
Cp,gas	2078.42	J/mol×K	1169.16	Joback Calculated Property
Cp,gas	2113.68	J/mol×K	1229.75	Joback Calculated Property
Cp,gas	2145.80	J/mol×K	1290.35	Joback Calculated Property
Cp,gas	2175.34	J/mol×K	1350.94	Joback Calculated Property
Cp,gas	2202.89	J/mol×K	1411.54	Joback Calculated Property
Cp,gas	2229.03	J/mol×K	1472.13	Joback Calculated Property
Cp,gas	2254.32	J/mol×K	1532.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 18,22,26,30-Tetramethyl-tritriacontyl cyanide.

Sources

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

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