Chemical Properties of Succinic acid, tridec-2-yn-1-yl pent-4-en-1-yl ester

InChI

InChI=1S/C22H36O4/c1-3-5-7-8-9-10-11-12-13-14-16-20-26-22(24)18-17-21(23)25-19-15-6-4-2/h4H,2-3,5-13,15,17-20H2,1H3

InChI Key

GKTYFDHIJCXROQ-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

C=CCCCOC(=O)CCC(=O)OCC#CCCCCCCCCCC

Molecular Weight¹

364.52

• 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	0.9582		Relay (... Calculated Property
ΔfG°	-42.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-755.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	60.15	kJ/mol	Joback Calculated Property
ΔvapH°	105.57	kJ/mol	Relay (... Calculated Property
IE	9.22	eV	Relay (... Calculated Property
log10WS	-5.81		Relay (... Calculated Property
logPoct/wat	5.353		Crippen Calculated Property
McVol	322.820	ml/mol	McGowan Calculated Property
Pc	1084.92	kPa	Joback Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		NIST
Tboil	643.95	K	Relay (... Calculated Property
Tc	813.24	K	Relay (... Calculated Property
Tfus	283.02	K	Relay (... Calculated Property
Vc	1.178	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1012.93; 1101.59]	J/mol×K	[861.02; 1057.00]
Cp,gas	1012.93	J/mol×K	861.02	Joback Calculated Property
Cp,gas	1030.42	J/mol×K	893.68	Joback Calculated Property
Cp,gas	1046.79	J/mol×K	926.35	Joback Calculated Property
Cp,gas	1062.07	J/mol×K	959.01	Joback Calculated Property
Cp,gas	1076.28	J/mol×K	991.67	Joback Calculated Property
Cp,gas	1089.45	J/mol×K	1024.34	Joback Calculated Property
Cp,gas	1101.59	J/mol×K	1057.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl pent-4-en-1-yl ester.

Sources

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

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