Chemical Properties of Glutaric acid, cyclohexylmethyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C19H22F4O4/c20-18-14(19(21,22)23)8-4-9-15(18)27-17(25)11-5-10-16(24)26-12-13-6-2-1-3-7-13/h4,8-9,13H,1-3,5-7,10-12H2

InChI Key

VLGZZWCFQQWZED-UHFFFAOYSA-N

Formula

C19H22F4O4

SMILES

O=C(CCCC(=O)Oc1cccc(C(F)(F)F)c1F)OCC1CCCCC1

Molecular Weight¹

390.37

• 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	0.8425		Relay (1.0) Calculated Property
ΔfG°	-1017.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1592.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.54	kJ/mol	Joback Calculated Property
ΔvapH°	93.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.044		Crippen Calculated Property
McVol	265.910	ml/mol	McGowan Calculated Property
Pc	1473.62	kPa	Joback Calculated Property
Inp	[2288.00; 2288.00]
Inp	2288.00		NIST
Inp	2288.00		NIST
Tboil	651.93	K	Relay (1.0) Calculated Property
Tc	840.28	K	Relay (1.0) Calculated Property
Tfus	311.62	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.97; 916.21]	J/mol×K	[836.74; 1041.71]
Cp,gas	843.97	J/mol×K	836.74	Joback Calculated Property
Cp,gas	858.97	J/mol×K	870.90	Joback Calculated Property
Cp,gas	872.73	J/mol×K	905.06	Joback Calculated Property
Cp,gas	885.30	J/mol×K	939.23	Joback Calculated Property
Cp,gas	896.71	J/mol×K	973.39	Joback Calculated Property
Cp,gas	906.99	J/mol×K	1007.55	Joback Calculated Property
Cp,gas	916.21	J/mol×K	1041.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.