Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C18H29F3O4/c1-12(18(19,20)21)24-15(22)6-5-7-16(23)25-14-10-8-13(9-11-14)17(2,3)4/h12-14H,5-11H2,1-4H3

InChI Key

PFBHVRMGFSSGLT-UHFFFAOYSA-N

Formula

C18H29F3O4

SMILES

CC(OC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F

Molecular Weight¹

366.42

• 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	0.7240		Relay (1.0) Calculated Property
ΔfG°	-931.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1628.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.75	kJ/mol	Joback Calculated Property
ΔvapH°	85.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	4.799		Crippen Calculated Property
McVol	273.810	ml/mol	McGowan Calculated Property
Pc	1302.35	kPa	Joback Calculated Property
Inp	[1939.00; 1939.00]
Inp	1939.00		NIST
Inp	1939.00		NIST
Tboil	589.65	K	Relay (1.0) Calculated Property
Tc	760.02	K	Relay (1.0) Calculated Property
Tfus	337.56	K	Relay (1.0) Calculated Property
Vc	0.985	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[874.74; 966.31]	J/mol×K	[769.61; 962.85]
Cp,gas	874.74	J/mol×K	769.61	Joback Calculated Property
Cp,gas	892.95	J/mol×K	801.82	Joback Calculated Property
Cp,gas	909.92	J/mol×K	834.02	Joback Calculated Property
Cp,gas	925.70	J/mol×K	866.23	Joback Calculated Property
Cp,gas	940.33	J/mol×K	898.44	Joback Calculated Property
Cp,gas	953.85	J/mol×K	930.64	Joback Calculated Property
Cp,gas	966.31	J/mol×K	962.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-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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