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

InChI

InChI=1S/C24H42O4/c1-4-6-8-9-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-7-5-2/h22H,4-14,16,18-21H2,1-3H3

InChI Key

PATIDHKDRBEMCI-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(C)CCCCC

Molecular Weight¹

394.59

• 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°	-116.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.27	kJ/mol	Joback Calculated Property
ΔfusH°	63.09	kJ/mol	Joback Calculated Property
ΔvapH°	89.09	kJ/mol	Joback Calculated Property
log10WS	-7.50		Crippen Calculated Property
logPoct/wat	6.356		Crippen Calculated Property
McVol	355.300	ml/mol	McGowan Calculated Property
Pc	939.79	kPa	Joback Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	909.66	K	Joback Calculated Property
Tc	1113.76	K	Joback Calculated Property
Tfus	595.66	K	Joback Calculated Property
Vc	1.383	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.20; 1257.97]	J/mol×K	[909.66; 1113.76]
Cp,gas	1165.20	J/mol×K	909.66	Joback Calculated Property
Cp,gas	1183.91	J/mol×K	943.68	Joback Calculated Property
Cp,gas	1201.29	J/mol×K	977.69	Joback Calculated Property
Cp,gas	1217.35	J/mol×K	1011.71	Joback Calculated Property
Cp,gas	1232.13	J/mol×K	1045.73	Joback Calculated Property
Cp,gas	1245.66	J/mol×K	1079.74	Joback Calculated Property
Cp,gas	1257.97	J/mol×K	1113.76	Joback Calculated Property

Similar Compounds

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

Sources

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

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