Chemical Properties of Succinic acid, hept-2-yl pentafluorobenzyl ester

InChI

InChI=1S/C18H21F5O4/c1-3-4-5-6-10(2)27-13(25)8-7-12(24)26-9-11-14(19)16(21)18(23)17(22)15(11)20/h10H,3-9H2,1-2H3

InChI Key

NJYPGYGVFIPKQG-UHFFFAOYSA-N

Formula

C18H21F5O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

396.35

• 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	0.9107		Relay (1.0) Calculated Property
ΔfG°	-1279.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1604.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.92	kJ/mol	Joback Calculated Property
ΔvapH°	91.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-6.52		Relay (1.0) Calculated Property
logPoct/wat	4.718		Crippen Calculated Property
McVol	264.450	ml/mol	McGowan Calculated Property
Pc	1261.95	kPa	Joback Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tboil	586.89	K	Relay (1.0) Calculated Property
Tc	763.89	K	Relay (1.0) Calculated Property
Tfus	299.85	K	Relay (1.0) Calculated Property
Vc	0.992	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.29; 864.31]	J/mol×K	[811.31; 996.92]
Cp,gas	796.29	J/mol×K	811.31	Joback Calculated Property
Cp,gas	809.86	J/mol×K	842.25	Joback Calculated Property
Cp,gas	822.54	J/mol×K	873.18	Joback Calculated Property
Cp,gas	834.32	J/mol×K	904.12	Joback Calculated Property
Cp,gas	845.21	J/mol×K	935.05	Joback Calculated Property
Cp,gas	855.21	J/mol×K	965.99	Joback Calculated Property
Cp,gas	864.31	J/mol×K	996.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl pentafluorobenzyl ester.

Sources

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

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