Chemical Properties of Succinic acid, cyclohexylmethyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C17H19F3O4/c18-12-6-7-13(17(20)16(12)19)24-15(22)9-8-14(21)23-10-11-4-2-1-3-5-11/h6-7,11H,1-5,8-10H2

InChI Key

NNFAPFXNFYLUEV-UHFFFAOYSA-N

Formula

C17H19F3O4

SMILES

O=C(CCC(=O)Oc1ccc(F)c(F)c1F)OCC1CCCCC1

Molecular Weight¹

344.33

• 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°	-852.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1215.70	kJ/mol	Joback Calculated Property
ΔfusH°	39.31	kJ/mol	Joback Calculated Property
ΔvapH°	73.99	kJ/mol	Joback Calculated Property
log10WS	-5.06		Crippen Calculated Property
logPoct/wat	3.913		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[2187.00; 2187.00]
Inp	2187.00		NIST
Inp	2187.00		NIST
Tboil	799.92	K	Joback Calculated Property
Tc	1005.98	K	Joback Calculated Property
Tfus	498.80	K	Joback Calculated Property
Vc	0.914	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.57; 791.56]	J/mol×K	[799.92; 1005.98]
Cp,gas	719.57	J/mol×K	799.92	Joback Calculated Property
Cp,gas	734.49	J/mol×K	834.26	Joback Calculated Property
Cp,gas	748.22	J/mol×K	868.61	Joback Calculated Property
Cp,gas	760.79	J/mol×K	902.95	Joback Calculated Property
Cp,gas	772.19	J/mol×K	937.29	Joback Calculated Property
Cp,gas	782.44	J/mol×K	971.63	Joback Calculated Property
Cp,gas	791.56	J/mol×K	1005.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,3,4-trifluorophenyl ester.

Sources

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

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