Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(3-fluorophenyl) ester

InChI

InChI=1S/C20H18F2O4/c21-13-5-3-7-15(11-13)25-19(23)17-9-1-2-10-18(17)20(24)26-16-8-4-6-14(22)12-16/h3-8,11-12,17-18H,1-2,9-10H2

InChI Key

TVYFRKFITUIOKQ-UHFFFAOYSA-N

Formula

C20H18F2O4

SMILES

O=C(Oc1cccc(F)c1)C1CCCCC1C(=O)Oc1cccc(F)c1

Molecular Weight¹

360.35

• 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°	-517.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-853.85	kJ/mol	Joback Calculated Property
ΔfusH°	39.50	kJ/mol	Joback Calculated Property
ΔvapH°	82.79	kJ/mol	Joback Calculated Property
log10WS	-5.50		Crippen Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	252.700	ml/mol	McGowan Calculated Property
Pc	1838.84	kPa	Joback Calculated Property
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		NIST
Tboil	886.32	K	Joback Calculated Property
Tc	1121.82	K	Joback Calculated Property
Tfus	541.68	K	Joback Calculated Property
Vc	0.956	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.66; 853.10]	J/mol×K	[886.32; 1121.82]
Cp,gas	792.66	J/mol×K	886.32	Joback Calculated Property
Cp,gas	806.73	J/mol×K	925.57	Joback Calculated Property
Cp,gas	819.16	J/mol×K	964.82	Joback Calculated Property
Cp,gas	829.98	J/mol×K	1004.07	Joback Calculated Property
Cp,gas	839.22	J/mol×K	1043.32	Joback Calculated Property
Cp,gas	846.91	J/mol×K	1082.57	Joback Calculated Property
Cp,gas	853.10	J/mol×K	1121.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(3-fluorophenyl) ester.

Sources

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

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