Chemical Properties of Glutaric acid, cyclohexylmethyl pentafluorophenyl ester

InChI

InChI=1S/C18H19F5O4/c19-13-14(20)16(22)18(17(23)15(13)21)27-12(25)8-4-7-11(24)26-9-10-5-2-1-3-6-10/h10H,1-9H2

InChI Key

CGFXTKGTCFZKLG-UHFFFAOYSA-N

Formula

C18H19F5O4

SMILES

O=C(CCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)OCC1CCCCC1

Molecular Weight¹

394.33

• 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	0.8629		Relay (1.0) Calculated Property
ΔfG°	-1252.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1522.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.28	kJ/mol	Joback Calculated Property
ΔvapH°	93.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	253.590	ml/mol	McGowan Calculated Property
Pc	1459.02	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	621.94	K	Relay (1.0) Calculated Property
Tc	819.67	K	Relay (1.0) Calculated Property
Tfus	308.30	K	Relay (1.0) Calculated Property
Vc	0.940	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.84; 857.00]	J/mol×K	[831.30; 1028.83]
Cp,gas	789.84	J/mol×K	831.30	Joback Calculated Property
Cp,gas	803.84	J/mol×K	864.22	Joback Calculated Property
Cp,gas	816.71	J/mol×K	897.14	Joback Calculated Property
Cp,gas	828.46	J/mol×K	930.06	Joback Calculated Property
Cp,gas	839.09	J/mol×K	962.98	Joback Calculated Property
Cp,gas	848.60	J/mol×K	995.91	Joback Calculated Property
Cp,gas	857.00	J/mol×K	1028.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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