Chemical Properties of Glutaric acid, cis-4-tert-butylcyclohexyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C25H44O4/c1-24(2,3)18-10-14-20(15-11-18)28-22(26)8-7-9-23(27)29-21-16-12-19(13-17-21)25(4,5)6/h18-21H,7-17H2,1-6H3

InChI Key

LLRPKUOCTIYRIM-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCCC(=O)OC2CCC(C(C)(C)C)CC2)CC1

Molecular Weight¹

408.61

• 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	0.8106		Relay (1.0) Calculated Property
ΔfG°	-269.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1107.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.06	kJ/mol	Joback Calculated Property
ΔvapH°	110.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-6.11		Relay (1.0) Calculated Property
logPoct/wat	6.453		Crippen Calculated Property
McVol	356.270	ml/mol	McGowan Calculated Property
Pc	1011.66	kPa	Joback Calculated Property
Inp	[2872.00; 2872.00]
Inp	2872.00		NIST
Inp	2872.00		NIST
Tboil	672.74	K	Relay (1.0) Calculated Property
Tc	898.53	K	Relay (1.0) Calculated Property
Tfus	401.79	K	Relay (1.0) Calculated Property
Vc	1.304	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1282.70; 1376.25]	J/mol×K	[947.28; 1171.20]
Cp,gas	1282.70	J/mol×K	947.28	Joback Calculated Property
Cp,gas	1302.81	J/mol×K	984.60	Joback Calculated Property
Cp,gas	1321.00	J/mol×K	1021.92	Joback Calculated Property
Cp,gas	1337.36	J/mol×K	1059.24	Joback Calculated Property
Cp,gas	1351.96	J/mol×K	1096.56	Joback Calculated Property
Cp,gas	1364.90	J/mol×K	1133.88	Joback Calculated Property
Cp,gas	1376.25	J/mol×K	1171.20	Joback Calculated Property
η	[0.0000275; 0.0005875]	Pa×s	[526.95; 947.28]
η	0.0005875	Pa×s	526.95	Joback Calculated Property
η	0.0002615	Pa×s	597.00	Joback Calculated Property
η	0.0001380	Pa×s	667.06	Joback Calculated Property
η	0.0000822	Pa×s	737.12	Joback Calculated Property
η	0.0000536	Pa×s	807.17	Joback Calculated Property
η	0.0000374	Pa×s	877.23	Joback Calculated Property
η	0.0000275	Pa×s	947.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cis-4-tert-butylcyclohexyl trans-4-tert-butylcyclohexyl ester.

Sources

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

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