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

InChI

InChI=1S/C24H42O4/c1-23(2,3)17-7-11-19(12-8-17)27-21(25)15-16-22(26)28-20-13-9-18(10-14-20)24(4,5)6/h17-20H,7-16H2,1-6H3

InChI Key

IJKKIWACMLFLBE-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

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

Molecular Weight¹

394.59

• 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	0.7649		Relay (1.0) Calculated Property
ΔfG°	-277.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
ΔvapH°	108.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-6.06		Relay (1.0) Calculated Property
logPoct/wat	6.063		Crippen Calculated Property
McVol	342.180	ml/mol	McGowan Calculated Property
Pc	1076.39	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	660.70	K	Relay (1.0) Calculated Property
Tc	889.89	K	Relay (1.0) Calculated Property
Tfus	409.74	K	Relay (1.0) Calculated Property
Vc	1.250	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1219.56; 1314.98]	J/mol×K	[924.40; 1148.21]
Cp,gas	1219.56	J/mol×K	924.40	Joback Calculated Property
Cp,gas	1239.98	J/mol×K	961.70	Joback Calculated Property
Cp,gas	1258.48	J/mol×K	999.00	Joback Calculated Property
Cp,gas	1275.16	J/mol×K	1036.31	Joback Calculated Property
Cp,gas	1290.08	J/mol×K	1073.61	Joback Calculated Property
Cp,gas	1303.33	J/mol×K	1110.91	Joback Calculated Property
Cp,gas	1314.98	J/mol×K	1148.21	Joback Calculated Property
η	[0.0000322; 0.0006706]	Pa×s	[515.68; 924.40]
η	0.0006706	Pa×s	515.68	Joback Calculated Property
η	0.0003009	Pa×s	583.80	Joback Calculated Property
η	0.0001597	Pa×s	651.92	Joback Calculated Property
η	0.0000955	Pa×s	720.04	Joback Calculated Property
η	0.0000624	Pa×s	788.16	Joback Calculated Property
η	0.0000437	Pa×s	856.28	Joback Calculated Property
η	0.0000322	Pa×s	924.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic 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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