Chemical Properties of Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester

InChI

InChI=1S/C22H24F8O5/c1-33-15-6-2-13(3-7-15)14-4-8-16(9-5-14)35-18(32)11-10-17(31)34-12-20(25,26)22(29,30)21(27,28)19(23)24/h2-3,6-7,14,16,19H,4-5,8-12H2,1H3

InChI Key

NTXOGCPXERMBCU-UHFFFAOYSA-N

Formula

C22H24F8O5

SMILES

COc1ccc(C2CCC(OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC2)cc1

Molecular Weight¹

520.41

• 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	0.9351		Relay (1.0) Calculated Property
ΔfG°	-1871.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-2509.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.93	kJ/mol	Joback Calculated Property
ΔvapH°	117.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-6.87		Relay (1.0) Calculated Property
logPoct/wat	5.759		Crippen Calculated Property
McVol	321.130	ml/mol	McGowan Calculated Property
Pc	1066.57	kPa	Joback Calculated Property
Inp	[2647.00; 2647.00]
Inp	2647.00		NIST
Inp	2647.00		NIST
Tboil	693.40	K	Relay (1.0) Calculated Property
Tc	861.56	K	Relay (1.0) Calculated Property
Tfus	358.79	K	Relay (1.0) Calculated Property
Vc	1.184	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.83; 1150.80]	J/mol×K	[908.33; 1113.65]
Cp,gas	1084.83	J/mol×K	908.33	Joback Calculated Property
Cp,gas	1098.88	J/mol×K	942.55	Joback Calculated Property
Cp,gas	1111.62	J/mol×K	976.77	Joback Calculated Property
Cp,gas	1123.10	J/mol×K	1010.99	Joback Calculated Property
Cp,gas	1133.41	J/mol×K	1045.21	Joback Calculated Property
Cp,gas	1142.61	J/mol×K	1079.43	Joback Calculated Property
Cp,gas	1150.80	J/mol×K	1113.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-(4-methoxyphenyl)cyclohexyl ester.

Sources

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

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