Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl (2-chlorocyclohexyl)methyl ester

InChI

InChI=1S/C14H20ClF3O4/c1-9(14(16,17)18)22-13(20)7-6-12(19)21-8-10-4-2-3-5-11(10)15/h9-11H,2-8H2,1H3

InChI Key

IYZXMVMCVSTQII-UHFFFAOYSA-N

Formula

C14H20ClF3O4

SMILES

CC(OC(=O)CCC(=O)OCC1CCCCC1Cl)C(F)(F)F

Molecular Weight¹

344.75

• 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°	-980.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1406.01	kJ/mol	Joback Calculated Property
ΔfusH°	33.00	kJ/mol	Joback Calculated Property
ΔvapH°	65.44	kJ/mol	Joback Calculated Property
log10WS	-4.10		Crippen Calculated Property
logPoct/wat	3.601		Crippen Calculated Property
McVol	229.690	ml/mol	McGowan Calculated Property
Pc	1675.53	kPa	Joback Calculated Property
Inp	[1878.00; 1878.00]
Inp	1878.00		NIST
Inp	1878.00		NIST
Tboil	718.75	K	Joback Calculated Property
Tc	912.54	K	Joback Calculated Property
Tfus	414.11	K	Joback Calculated Property
Vc	0.885	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.26; 755.28]	J/mol×K	[718.75; 912.54]
Cp,gas	675.26	J/mol×K	718.75	Joback Calculated Property
Cp,gas	691.18	J/mol×K	751.05	Joback Calculated Property
Cp,gas	706.04	J/mol×K	783.35	Joback Calculated Property
Cp,gas	719.86	J/mol×K	815.65	Joback Calculated Property
Cp,gas	732.66	J/mol×K	847.95	Joback Calculated Property
Cp,gas	744.46	J/mol×K	880.24	Joback Calculated Property
Cp,gas	755.28	J/mol×K	912.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl (2-chlorocyclohexyl)methyl ester.

Sources

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

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