Chemical Properties of Glutaric acid, 2-ethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C16H25F3O4/c1-3-12-7-4-5-8-13(12)23-15(21)10-6-9-14(20)22-11(2)16(17,18)19/h11-13H,3-10H2,1-2H3

InChI Key

QSWNEEACYTWENE-UHFFFAOYSA-N

Formula

C16H25F3O4

SMILES

CCC1CCCCC1OC(=O)CCCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

338.36

• 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	0.7184		Relay (1.0) Calculated Property
ΔfG°	-951.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1603.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.98	kJ/mol	Joback Calculated Property
ΔvapH°	80.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	4.163		Crippen Calculated Property
McVol	245.630	ml/mol	McGowan Calculated Property
Pc	1481.57	kPa	Joback Calculated Property
Inp	[1706.00; 1706.00]
Inp	1706.00		NIST
Inp	1706.00		NIST
Tboil	577.25	K	Relay (1.0) Calculated Property
Tc	736.44	K	Relay (1.0) Calculated Property
Tfus	270.53	K	Relay (1.0) Calculated Property
Vc	0.890	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.93; 846.25]	J/mol×K	[727.08; 914.78]
Cp,gas	756.93	J/mol×K	727.08	Joback Calculated Property
Cp,gas	774.49	J/mol×K	758.36	Joback Calculated Property
Cp,gas	790.95	J/mol×K	789.65	Joback Calculated Property
Cp,gas	806.33	J/mol×K	820.93	Joback Calculated Property
Cp,gas	820.66	J/mol×K	852.21	Joback Calculated Property
Cp,gas	833.96	J/mol×K	883.50	Joback Calculated Property
Cp,gas	846.25	J/mol×K	914.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylcyclohexyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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