Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C17H27F3O4/c1-11(17(18,19)20)23-14(21)9-10-15(22)24-13-7-5-12(6-8-13)16(2,3)4/h11-13H,5-10H2,1-4H3

InChI Key

JTHYTTQHTREKJC-UHFFFAOYSA-N

Formula

C17H27F3O4

SMILES

CC(OC(=O)CCC(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F

Molecular Weight¹

352.39

• 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°	-940.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1460.94	kJ/mol	Joback Calculated Property
ΔfusH°	29.16	kJ/mol	Joback Calculated Property
ΔvapH°	66.44	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	4.409		Crippen Calculated Property
McVol	259.720	ml/mol	McGowan Calculated Property
Pc	1397.50	kPa	Joback Calculated Property
Inp	[1799.00; 1799.00]
Inp	1799.00		NIST
Inp	1799.00		NIST
Tboil	746.73	K	Joback Calculated Property
Tc	940.53	K	Joback Calculated Property
Tfus	420.42	K	Joback Calculated Property
Vc	0.994	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.38; 907.57]	J/mol×K	[746.73; 940.53]
Cp,gas	816.38	J/mol×K	746.73	Joback Calculated Property
Cp,gas	834.49	J/mol×K	779.03	Joback Calculated Property
Cp,gas	851.38	J/mol×K	811.33	Joback Calculated Property
Cp,gas	867.09	J/mol×K	843.63	Joback Calculated Property
Cp,gas	881.66	J/mol×K	875.93	Joback Calculated Property
Cp,gas	895.14	J/mol×K	908.23	Joback Calculated Property
Cp,gas	907.57	J/mol×K	940.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl cis-4-tert-butylcyclohexyl ester.

Sources

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

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