Chemical Properties of Glutaric acid, naphth-2-ylmethyl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C26H34O4/c1-26(2,3)22-13-15-23(16-14-22)30-25(28)10-6-9-24(27)29-18-19-11-12-20-7-4-5-8-21(20)17-19/h4-5,7-8,11-12,17,22-23H,6,9-10,13-16,18H2,1-3H3

InChI Key

UOHDIPOCWIYOMP-UHFFFAOYSA-N

Formula

C26H34O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCCC(=O)OCc2ccc3ccccc3c2)CC1

Molecular Weight¹

410.55

• 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	0.8905		Relay (1.0) Calculated Property
ΔfG°	-70.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-734.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.83	kJ/mol	Joback Calculated Property
ΔvapH°	126.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	6.201		Crippen Calculated Property
McVol	338.000	ml/mol	McGowan Calculated Property
Pc	1214.05	kPa	Joback Calculated Property
Inp	[3273.00; 3273.00]
Inp	3273.00		NIST
Inp	3273.00		NIST
Tboil	740.71	K	Relay (1.0) Calculated Property
Tc	986.92	K	Relay (1.0) Calculated Property
Tfus	392.21	K	Relay (1.0) Calculated Property
Vc	1.208	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1160.46; 1235.50]	J/mol×K	[1009.15; 1246.15]
Cp,gas	1160.46	J/mol×K	1009.15	Joback Calculated Property
Cp,gas	1176.24	J/mol×K	1048.65	Joback Calculated Property
Cp,gas	1190.57	J/mol×K	1088.15	Joback Calculated Property
Cp,gas	1203.54	J/mol×K	1127.65	Joback Calculated Property
Cp,gas	1215.28	J/mol×K	1167.15	Joback Calculated Property
Cp,gas	1225.90	J/mol×K	1206.65	Joback Calculated Property
Cp,gas	1235.50	J/mol×K	1246.15	Joback Calculated Property
η	[0.0000500; 0.0004462]	Pa×s	[604.30; 1009.15]
η	0.0004462	Pa×s	604.30	Joback Calculated Property
η	0.0002579	Pa×s	671.77	Joback Calculated Property
η	0.0001648	Pa×s	739.25	Joback Calculated Property
η	0.0001135	Pa×s	806.72	Joback Calculated Property
η	0.0000828	Pa×s	874.20	Joback Calculated Property
η	0.0000632	Pa×s	941.67	Joback Calculated Property
η	0.0000500	Pa×s	1009.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl cis-4-tert-butylcyclohexyl ester.

Sources

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

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