Chemical Properties of Succinic acid, cyclohexylmethyl pentafluorophenyl ester

InChI

InChI=1S/C17H17F5O4/c18-12-13(19)15(21)17(16(22)14(12)20)26-11(24)7-6-10(23)25-8-9-4-2-1-3-5-9/h9H,1-8H2

InChI Key

QXDJOKYPWIJHQS-UHFFFAOYSA-N

Formula

C17H17F5O4

SMILES

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

Molecular Weight¹

380.31

• 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°	-1260.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1630.86	kJ/mol	Joback Calculated Property
ΔfusH°	44.69	kJ/mol	Joback Calculated Property
ΔvapH°	73.68	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	4.191		Crippen Calculated Property
McVol	239.500	ml/mol	McGowan Calculated Property
Pc	1572.21	kPa	Joback Calculated Property
Inp	[2006.00; 2006.00]
Inp	2006.00		NIST
Inp	2006.00		NIST
Tboil	808.42	K	Joback Calculated Property
Tc	1005.37	K	Joback Calculated Property
Tfus	525.02	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[732.83; 799.42]	J/mol×K	[808.42; 1005.37]
Cp,gas	732.83	J/mol×K	808.42	Joback Calculated Property
Cp,gas	746.59	J/mol×K	841.24	Joback Calculated Property
Cp,gas	759.29	J/mol×K	874.07	Joback Calculated Property
Cp,gas	770.92	J/mol×K	906.89	Joback Calculated Property
Cp,gas	781.49	J/mol×K	939.72	Joback Calculated Property
Cp,gas	790.99	J/mol×K	972.54	Joback Calculated Property
Cp,gas	799.42	J/mol×K	1005.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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