Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C21H28ClFO4/c1-21(2,3)14-10-12-15(13-11-14)26-18(24)8-5-9-19(25)27-20-16(22)6-4-7-17(20)23/h4,6-7,14-15H,5,8-13H2,1-3H3

InChI Key

NVGCGTPYSWKYPJ-UHFFFAOYSA-N

Formula

C21H28ClFO4

SMILES

CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc2c(F)cccc2Cl)CC1

Molecular Weight¹

398.90

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8117		Relay (... Calculated Property
ΔfG°	-435.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-989.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.75	kJ/mol	Joback Calculated Property
ΔvapH°	107.17	kJ/mol	Relay (... Calculated Property
IE	8.70	eV	Relay (... Calculated Property
log10WS	-5.90		Relay (... Calculated Property
logPoct/wat	5.703		Crippen Calculated Property
McVol	301.020	ml/mol	McGowan Calculated Property
Pc	1339.80	kPa	Joback Calculated Property
Inp	[2652.00; 2652.00]
Inp	2652.00		NIST
Inp	2652.00		NIST
Tboil	649.12	K	Relay (... Calculated Property
Tc	898.61	K	Relay (... Calculated Property
Tfus	376.82	K	Relay (... Calculated Property
Vc	1.068	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.86; 1039.87]	J/mol×K	[917.45; 1141.28]
Cp,gas	969.86	J/mol×K	917.45	Joback Calculated Property
Cp,gas	985.17	J/mol×K	954.75	Joback Calculated Property
Cp,gas	998.97	J/mol×K	992.06	Joback Calculated Property
Cp,gas	1011.29	J/mol×K	1029.36	Joback Calculated Property
Cp,gas	1022.18	J/mol×K	1066.67	Joback Calculated Property
Cp,gas	1031.69	J/mol×K	1103.97	Joback Calculated Property
Cp,gas	1039.87	J/mol×K	1141.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl cis-4-tert-butylcyclohexyl ester.

Sources

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

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