Chemical Properties of Succinic acid, tridec-2-yn-1-yl pentafluorophenyl ester

InChI

InChI=1S/C23H27F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-31-16(29)13-14-17(30)32-23-21(27)19(25)18(24)20(26)22(23)28/h2-10,13-15H2,1H3

InChI Key

RLINMEXPRSBOCQ-UHFFFAOYSA-N

Formula

C23H27F5O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

462.45

• 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	1.0575		Relay (1.0) Calculated Property
ΔfG°	-1032.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1387.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.52	kJ/mol	Joback Calculated Property
ΔvapH°	113.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-8.56		Relay (1.0) Calculated Property
logPoct/wat	6.145		Crippen Calculated Property
McVol	326.300	ml/mol	McGowan Calculated Property
Pc	1012.30	kPa	Joback Calculated Property
Inp	[2535.00; 2535.00]
Inp	2535.00		NIST
Inp	2535.00		NIST
Tboil	623.48	K	Relay (1.0) Calculated Property
Tc	825.69	K	Relay (1.0) Calculated Property
Tfus	319.59	K	Relay (1.0) Calculated Property
Vc	1.201	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1035.90; 1102.76]	J/mol×K	[935.15; 1145.13]
Cp,gas	1035.90	J/mol×K	935.15	Joback Calculated Property
Cp,gas	1050.25	J/mol×K	970.15	Joback Calculated Property
Cp,gas	1063.30	J/mol×K	1005.14	Joback Calculated Property
Cp,gas	1075.07	J/mol×K	1040.14	Joback Calculated Property
Cp,gas	1085.56	J/mol×K	1075.14	Joback Calculated Property
Cp,gas	1094.78	J/mol×K	1110.14	Joback Calculated Property
Cp,gas	1102.76	J/mol×K	1145.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl pentafluorophenyl ester.

Sources

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

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