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

InChI

InChI=1S/C18H30O4/c1-5-9-12-16(11-7-3)22-18(20)14-13-17(19)21-15(8-4)10-6-2/h15-16H,5,7-9,11-14H2,1-4H3

InChI Key

PBYFPTZKRPPUPO-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

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

Molecular Weight¹

310.43

• 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°	-169.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-642.71	kJ/mol	Joback Calculated Property
ΔfusH°	44.03	kJ/mol	Joback Calculated Property
ΔvapH°	75.35	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	4.014		Crippen Calculated Property
McVol	270.760	ml/mol	McGowan Calculated Property
Pc	1394.37	kPa	Joback Calculated Property
Inp	[1984.00; 1984.00]
Inp	1984.00		NIST
Inp	1984.00		NIST
Tboil	771.94	K	Joback Calculated Property
Tc	964.57	K	Joback Calculated Property
Tfus	513.04	K	Joback Calculated Property
Vc	1.042	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.99; 890.60]	J/mol×K	[771.94; 964.57]
Cp,gas	802.99	J/mol×K	771.94	Joback Calculated Property
Cp,gas	820.04	J/mol×K	804.05	Joback Calculated Property
Cp,gas	836.09	J/mol×K	836.15	Joback Calculated Property
Cp,gas	851.17	J/mol×K	868.26	Joback Calculated Property
Cp,gas	865.27	J/mol×K	900.36	Joback Calculated Property
Cp,gas	878.41	J/mol×K	932.47	Joback Calculated Property
Cp,gas	890.60	J/mol×K	964.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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