Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C14H21F3O4/c1-9-3-5-11(6-4-9)21-13(19)8-7-12(18)20-10(2)14(15,16)17/h9-11H,3-8H2,1-2H3

InChI Key

KNYVTMOOHSPWOG-UHFFFAOYSA-N

Formula

C14H21F3O4

SMILES

CC1CCC(OC(=O)CCC(=O)OC(C)C(F)(F)F)CC1

Molecular Weight¹

310.31

• 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	0.6549		Relay (1.0) Calculated Property
ΔfG°	-968.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1559.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.80	kJ/mol	Joback Calculated Property
ΔvapH°	76.58	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	3.383		Crippen Calculated Property
McVol	217.450	ml/mol	McGowan Calculated Property
Pc	1727.46	kPa	Joback Calculated Property
Inp	[1561.00; 1561.00]
Inp	1561.00		NIST
Inp	1561.00		NIST
Tboil	544.16	K	Relay (1.0) Calculated Property
Tc	707.19	K	Relay (1.0) Calculated Property
Tfus	286.98	K	Relay (1.0) Calculated Property
Vc	0.800	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[644.56; 731.93]	J/mol×K	[681.32; 871.06]
Cp,gas	644.56	J/mol×K	681.32	Joback Calculated Property
Cp,gas	661.67	J/mol×K	712.94	Joback Calculated Property
Cp,gas	677.73	J/mol×K	744.57	Joback Calculated Property
Cp,gas	692.76	J/mol×K	776.19	Joback Calculated Property
Cp,gas	706.80	J/mol×K	807.81	Joback Calculated Property
Cp,gas	719.85	J/mol×K	839.44	Joback Calculated Property
Cp,gas	731.93	J/mol×K	871.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl trans-4-methylcyclohexyl ester.

Sources

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

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