Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C19H26F8O4/c1-16(2,3)11-4-6-12(7-5-11)31-14(29)9-8-13(28)30-10-17(22,23)19(26,27)18(24,25)15(20)21/h11-12,15H,4-10H2,1-3H3

InChI Key

ALFDCIGAPMNZBT-UHFFFAOYSA-N

Formula

C19H26F8O4

SMILES

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

Molecular Weight¹

470.39

• 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	0.7924		Relay (1.0) Calculated Property
ΔfG°	-1891.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-2562.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.91	kJ/mol	Joback Calculated Property
ΔvapH°	95.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	5.629		Crippen Calculated Property
McVol	296.750	ml/mol	McGowan Calculated Property
Pc	1072.17	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	609.17	K	Relay (1.0) Calculated Property
Tc	769.87	K	Relay (1.0) Calculated Property
Tfus	355.07	K	Relay (1.0) Calculated Property
Vc	1.107	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[974.19; 1057.16]	J/mol×K	[782.38; 964.95]
Cp,gas	974.19	J/mol×K	782.38	Joback Calculated Property
Cp,gas	990.67	J/mol×K	812.81	Joback Calculated Property
Cp,gas	1005.99	J/mol×K	843.24	Joback Calculated Property
Cp,gas	1020.24	J/mol×K	873.66	Joback Calculated Property
Cp,gas	1033.47	J/mol×K	904.09	Joback Calculated Property
Cp,gas	1045.76	J/mol×K	934.52	Joback Calculated Property
Cp,gas	1057.16	J/mol×K	964.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl cis-4-tert-butylcyclohexyl ester.

Sources

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

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