Chemical Properties of Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C30H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38-23(36)19-20-24(37)39-22(2)25-26(31)28(33)30(35)29(34)27(25)32/h22H,3-21H2,1-2H3

InChI Key

JXYJJOVUXUSPDP-UHFFFAOYSA-N

Formula

C30H45F5O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

564.67

• 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	1.3507		Relay (1.0) Calculated Property
ΔfG°	-1178.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1844.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	83.00	kJ/mol	Joback Calculated Property
ΔvapH°	137.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-9.77		Relay (1.0) Calculated Property
logPoct/wat	9.571		Crippen Calculated Property
McVol	433.530	ml/mol	McGowan Calculated Property
Pc	635.44	kPa	Joback Calculated Property
Inp	[3135.00; 3135.00]
Inp	3135.00		NIST
Inp	3135.00		NIST
Tboil	682.56	K	Relay (1.0) Calculated Property
Tc	857.90	K	Relay (1.0) Calculated Property
Tfus	341.41	K	Relay (1.0) Calculated Property
Vc	1.637	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1525.62; 1597.73]	J/mol×K	[1085.87; 1379.43]
Cp,gas	1525.62	J/mol×K	1085.87	Joback Calculated Property
Cp,gas	1544.84	J/mol×K	1134.80	Joback Calculated Property
Cp,gas	1561.05	J/mol×K	1183.72	Joback Calculated Property
Cp,gas	1574.34	J/mol×K	1232.65	Joback Calculated Property
Cp,gas	1584.81	J/mol×K	1281.58	Joback Calculated Property
Cp,gas	1592.57	J/mol×K	1330.50	Joback Calculated Property
Cp,gas	1597.73	J/mol×K	1379.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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