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

InChI

InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-25-21(23)17-18-22(24)26-20-15-12-13-16-20/h20H,2-10,12-13,15-19H2,1H3

InChI Key

YGQYYBWVBREAHW-UHFFFAOYSA-N

Formula

C22H36O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC1CCCC1

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	0.9308		Relay (... Calculated Property
ΔfG°	-94.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-809.87	kJ/mol	Relay (... Calculated Property
ΔfusH°	55.37	kJ/mol	Joback Calculated Property
ΔvapH°	112.35	kJ/mol	Relay (... Calculated Property
IE	9.38	eV	Relay (... Calculated Property
log10WS	-5.93		Relay (... Calculated Property
logPoct/wat	5.330		Crippen Calculated Property
McVol	316.260	ml/mol	McGowan Calculated Property
Pc	1190.70	kPa	Joback Calculated Property
Inp	[2737.00; 2737.00]
Inp	2737.00		NIST
Inp	2737.00		NIST
Tboil	639.03	K	Relay (... Calculated Property
Tc	850.57	K	Relay (... Calculated Property
Tfus	296.32	K	Relay (... Calculated Property
Vc	1.170	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.16; 1123.36]	J/mol×K	[879.62; 1084.53]
Cp,gas	1033.16	J/mol×K	879.62	Joback Calculated Property
Cp,gas	1051.35	J/mol×K	913.77	Joback Calculated Property
Cp,gas	1068.24	J/mol×K	947.92	Joback Calculated Property
Cp,gas	1083.85	J/mol×K	982.08	Joback Calculated Property
Cp,gas	1098.22	J/mol×K	1016.23	Joback Calculated Property
Cp,gas	1111.38	J/mol×K	1050.38	Joback Calculated Property
Cp,gas	1123.36	J/mol×K	1084.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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