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

InChI

InChI=1S/C24H29F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-32-18(30)13-14-19(31)33-16-17-20(25)22(27)24(29)23(28)21(17)26/h2-10,13-16H2,1H3

InChI Key

YTRKQZGMLQSLQJ-UHFFFAOYSA-N

Formula

C24H29F5O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

476.48

• 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	1.0760		Relay (1.0) Calculated Property
ΔfG°	-1023.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1427.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.11	kJ/mol	Joback Calculated Property
ΔvapH°	116.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-8.67		Relay (1.0) Calculated Property
logPoct/wat	6.283		Crippen Calculated Property
McVol	340.390	ml/mol	McGowan Calculated Property
Pc	953.19	kPa	Joback Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tboil	647.92	K	Relay (1.0) Calculated Property
Tc	834.19	K	Relay (1.0) Calculated Property
Tfus	327.15	K	Relay (1.0) Calculated Property
Vc	1.250	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1096.07; 1163.38]	J/mol×K	[958.03; 1174.39]
Cp,gas	1096.07	J/mol×K	958.03	Joback Calculated Property
Cp,gas	1110.78	J/mol×K	994.09	Joback Calculated Property
Cp,gas	1124.07	J/mol×K	1030.15	Joback Calculated Property
Cp,gas	1135.96	J/mol×K	1066.21	Joback Calculated Property
Cp,gas	1146.47	J/mol×K	1102.27	Joback Calculated Property
Cp,gas	1155.60	J/mol×K	1138.33	Joback Calculated Property
Cp,gas	1163.38	J/mol×K	1174.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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