Chemical Properties of Succinic acid, hex-4-yn-3-yl 2-hexyl ester

InChI

InChI=1S/C16H26O4/c1-5-8-10-13(4)19-15(17)11-12-16(18)20-14(7-3)9-6-2/h13-14H,5,7-8,10-12H2,1-4H3

InChI Key

BUTOEINYMOZHSB-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

CC#CC(CC)OC(=O)CCC(=O)OC(C)CCCC

Molecular Weight¹

282.38

• 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°	-186.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-601.43	kJ/mol	Joback Calculated Property
ΔfusH°	38.85	kJ/mol	Joback Calculated Property
ΔvapH°	70.90	kJ/mol	Joback Calculated Property
log10WS	-4.26		Crippen Calculated Property
logPoct/wat	3.234		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Pc	1618.07	kPa	Joback Calculated Property
Inp	[1835.00; 1835.00]
Inp	1835.00		NIST
Inp	1835.00		NIST
Tboil	726.18	K	Joback Calculated Property
Tc	920.20	K	Joback Calculated Property
Tfus	490.50	K	Joback Calculated Property
Vc	0.929	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.06; 774.07]	J/mol×K	[726.18; 920.20]
Cp,gas	689.06	J/mol×K	726.18	Joback Calculated Property
Cp,gas	705.48	J/mol×K	758.52	Joback Calculated Property
Cp,gas	720.99	J/mol×K	790.85	Joback Calculated Property
Cp,gas	735.60	J/mol×K	823.19	Joback Calculated Property
Cp,gas	749.31	J/mol×K	855.53	Joback Calculated Property
Cp,gas	762.13	J/mol×K	887.87	Joback Calculated Property
Cp,gas	774.07	J/mol×K	920.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2-hexyl ester.

Sources

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

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