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

InChI

InChI=1S/C22H38O4/c1-4-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-19-20(3)5-2/h20H,4-13,16-19H2,1-3H3

InChI Key

NWGWTWCOUPVMRD-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OCC(C)CC

Molecular Weight¹

366.53

• 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).
• 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
ΔfG°	-133.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-719.99	kJ/mol	Joback Calculated Property
ΔfusH°	57.91	kJ/mol	Joback Calculated Property
ΔvapH°	84.64	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	5.433		Crippen Calculated Property
McVol	327.120	ml/mol	McGowan Calculated Property
Pc	1061.02	kPa	Joback Calculated Property
Inp	[2588.00; 2588.00]
Inp	2588.00		NIST
Inp	2588.00		NIST
Tboil	863.90	K	Joback Calculated Property
Tc	1060.36	K	Joback Calculated Property
Tfus	573.12	K	Joback Calculated Property
Vc	1.272	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.39; 1132.41]	J/mol×K	[863.90; 1060.36]
Cp,gas	1041.39	J/mol×K	863.90	Joback Calculated Property
Cp,gas	1059.45	J/mol×K	896.64	Joback Calculated Property
Cp,gas	1076.32	J/mol×K	929.39	Joback Calculated Property
Cp,gas	1092.03	J/mol×K	962.13	Joback Calculated Property
Cp,gas	1106.60	J/mol×K	994.87	Joback Calculated Property
Cp,gas	1120.05	J/mol×K	1027.61	Joback Calculated Property
Cp,gas	1132.41	J/mol×K	1060.36	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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