Chemical Properties of Glutaric acid, cyclohexylmethyl pentafluorobenzyl ester

InChI

InChI=1S/C19H21F5O4/c20-15-12(16(21)18(23)19(24)17(15)22)10-28-14(26)8-4-7-13(25)27-9-11-5-2-1-3-6-11/h11H,1-10H2

InChI Key

VUJFOKJBJNVZGW-UHFFFAOYSA-N

Formula

C19H21F5O4

SMILES

O=C(CCCC(=O)OCC1CCCCC1)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

408.36

• 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).
• 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
ΔfG°	-1244.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1672.14	kJ/mol	Joback Calculated Property
ΔfusH°	49.87	kJ/mol	Joback Calculated Property
ΔvapH°	78.13	kJ/mol	Joback Calculated Property
log10WS	-6.41		Crippen Calculated Property
logPoct/wat	4.719		Crippen Calculated Property
McVol	267.680	ml/mol	McGowan Calculated Property
Pc	1357.63	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	854.18	K	Joback Calculated Property
Tc	1052.99	K	Joback Calculated Property
Tfus	547.56	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.65; 915.16]	J/mol×K	[854.18; 1052.99]
Cp,gas	847.65	J/mol×K	854.18	Joback Calculated Property
Cp,gas	861.85	J/mol×K	887.31	Joback Calculated Property
Cp,gas	874.87	J/mol×K	920.45	Joback Calculated Property
Cp,gas	886.70	J/mol×K	953.58	Joback Calculated Property
Cp,gas	897.35	J/mol×K	986.72	Joback Calculated Property
Cp,gas	906.84	J/mol×K	1019.85	Joback Calculated Property
Cp,gas	915.16	J/mol×K	1052.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl pentafluorobenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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