Chemical Properties of Glutaric acid, hept-2-yl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C22H40O4/c1-6-7-8-10-17(2)25-20(23)11-9-12-21(24)26-19-15-13-18(14-16-19)22(3,4)5/h17-19H,6-16H2,1-5H3

InChI Key

BYBZFAUTJXZQBV-UHFFFAOYSA-N

Formula

C22H40O4

SMILES

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

Molecular Weight¹

368.55

• 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	0.8503		Relay (... Calculated Property
ΔfG°	-316.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.86	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.28	kJ/mol	Joback Calculated Property
ΔvapH°	98.17	kJ/mol	Relay (... Calculated Property
IE	9.27	eV	Relay (... Calculated Property
log10WS	-5.20		Relay (... Calculated Property
logPoct/wat	5.817		Crippen Calculated Property
McVol	324.860	ml/mol	McGowan Calculated Property
Pc	1082.78	kPa	Joback Calculated Property
Inp	[2475.00; 2475.00]
Inp	2475.00		NIST
Inp	2475.00		NIST
Tboil	634.23	K	Relay (... Calculated Property
Tc	827.52	K	Relay (... Calculated Property
Tfus	303.52	K	Relay (... Calculated Property
Vc	1.182	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.84; 1190.86]	J/mol×K	[866.55; 1069.84]
Cp,gas	1093.84	J/mol×K	866.55	Joback Calculated Property
Cp,gas	1113.55	J/mol×K	900.43	Joback Calculated Property
Cp,gas	1131.78	J/mol×K	934.31	Joback Calculated Property
Cp,gas	1148.59	J/mol×K	968.19	Joback Calculated Property
Cp,gas	1164.01	J/mol×K	1002.07	Joback Calculated Property
Cp,gas	1178.09	J/mol×K	1035.96	Joback Calculated Property
Cp,gas	1190.86	J/mol×K	1069.84	Joback Calculated Property
η	[0.0000383; 0.0008924]	Pa×s	[472.58; 866.55]
η	0.0008924	Pa×s	472.58	Joback Calculated Property
η	0.0003833	Pa×s	538.24	Joback Calculated Property
η	0.0001979	Pa×s	603.90	Joback Calculated Property
η	0.0001163	Pa×s	669.56	Joback Calculated Property
η	0.0000751	Pa×s	735.23	Joback Calculated Property
η	0.0000522	Pa×s	800.89	Joback Calculated Property
η	0.0000383	Pa×s	866.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl trans-4-tert-butylcyclohexyl ester.

Sources

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

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