Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C17H26F4O4/c1-16(2,3)11-4-6-12(7-5-11)25-14(23)9-8-13(22)24-10-17(20,21)15(18)19/h11-12,15H,4-10H2,1-3H3

InChI Key

WFRMIUSUUKQOJA-UHFFFAOYSA-N

Formula

C17H26F4O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCC(=O)OCC(F)(F)C(F)F)CC1

Molecular Weight¹

370.38

• 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	0.7191		Relay (1.0) Calculated Property
ΔfG°	-1134.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1739.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.23	kJ/mol	Joback Calculated Property
ΔvapH°	88.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.358		Crippen Calculated Property
McVol	261.490	ml/mol	McGowan Calculated Property
Pc	1351.64	kPa	Joback Calculated Property
Inp	[1954.00; 1954.00]
Inp	1954.00		NIST
Inp	1954.00		NIST
Tboil	589.20	K	Relay (1.0) Calculated Property
Tc	769.84	K	Relay (1.0) Calculated Property
Tfus	359.40	K	Relay (1.0) Calculated Property
Vc	0.949	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[824.03; 912.58]	J/mol×K	[746.00; 934.25]
Cp,gas	824.03	J/mol×K	746.00	Joback Calculated Property
Cp,gas	841.56	J/mol×K	777.38	Joback Calculated Property
Cp,gas	857.92	J/mol×K	808.75	Joback Calculated Property
Cp,gas	873.17	J/mol×K	840.13	Joback Calculated Property
Cp,gas	887.34	J/mol×K	871.50	Joback Calculated Property
Cp,gas	900.46	J/mol×K	902.88	Joback Calculated Property
Cp,gas	912.58	J/mol×K	934.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl trans-4-tert-butylcyclohexyl ester.

Sources

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

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