Chemical Properties of Glutaric acid, 3-methylbut-2-yl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C20H36O4/c1-14(2)15(3)23-18(21)8-7-9-19(22)24-17-12-10-16(11-13-17)20(4,5)6/h14-17H,7-13H2,1-6H3

InChI Key

DQHCKUBYXFRJAB-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1

Molecular Weight¹

340.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7520		Relay (1.0) Calculated Property
ΔfG°	-335.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1040.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.58	kJ/mol	Joback Calculated Property
ΔvapH°	90.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-4.53		Relay (1.0) Calculated Property
logPoct/wat	4.893		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1240.71	kPa	Joback Calculated Property
Inp	[2183.00; 2183.00]
Inp	2183.00		NIST
Inp	2183.00		NIST
Tboil	615.64	K	Relay (1.0) Calculated Property
Tc	809.96	K	Relay (1.0) Calculated Property
Tfus	316.67	K	Relay (1.0) Calculated Property
Vc	1.069	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.31; 1069.84]	J/mol×K	[820.35; 1024.80]
Cp,gas	971.31	J/mol×K	820.35	Joback Calculated Property
Cp,gas	991.21	J/mol×K	854.42	Joback Calculated Property
Cp,gas	1009.68	J/mol×K	888.50	Joback Calculated Property
Cp,gas	1026.74	J/mol×K	922.57	Joback Calculated Property
Cp,gas	1042.42	J/mol×K	956.65	Joback Calculated Property
Cp,gas	1056.78	J/mol×K	990.72	Joback Calculated Property
Cp,gas	1069.84	J/mol×K	1024.80	Joback Calculated Property
η	[0.0000474; 0.0013809]	Pa×s	[435.04; 820.35]
η	0.0013809	Pa×s	435.04	Joback Calculated Property
η	0.0005485	Pa×s	499.26	Joback Calculated Property
η	0.0002689	Pa×s	563.48	Joback Calculated Property
η	0.0001525	Pa×s	627.69	Joback Calculated Property
η	0.0000961	Pa×s	691.91	Joback Calculated Property
η	0.0000655	Pa×s	756.13	Joback Calculated Property
η	0.0000474	Pa×s	820.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl cis-4-tert-butylcyclohexyl ester.

Sources

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

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