Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl dodec-9-yn-1-yl ester

InChI

InChI=1S/C21H34O4/c1-4-5-6-7-8-9-10-11-12-13-17-24-20(22)14-15-21(23)25-18-16-19(2)3/h16H,4,7-15,17-18H2,1-3H3

InChI Key

JKSJLWUAUMMAOI-UHFFFAOYSA-N

Formula

C21H34O4

SMILES

CCC#CCCCCCCCCOC(=O)CCC(=O)OCC=C(C)C

Molecular Weight¹

350.49

• 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°	-67.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-586.64	kJ/mol	Joback Calculated Property
ΔfusH°	57.73	kJ/mol	Joback Calculated Property
ΔvapH°	82.84	kJ/mol	Joback Calculated Property
log10WS	-5.99		Crippen Calculated Property
logPoct/wat	4.963		Crippen Calculated Property
McVol	308.730	ml/mol	McGowan Calculated Property
Pc	1168.82	kPa	Joback Calculated Property
Inp	[2535.00; 2535.00]
Inp	2535.00		NIST
Inp	2535.00		NIST
Tboil	845.50	K	Joback Calculated Property
Tc	1042.35	K	Joback Calculated Property
Tfus	557.81	K	Joback Calculated Property
Vc	1.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[953.43; 1041.88]	J/mol×K	[845.50; 1042.35]
Cp,gas	953.43	J/mol×K	845.50	Joback Calculated Property
Cp,gas	970.69	J/mol×K	878.31	Joback Calculated Property
Cp,gas	986.90	J/mol×K	911.12	Joback Calculated Property
Cp,gas	1002.10	J/mol×K	943.92	Joback Calculated Property
Cp,gas	1016.31	J/mol×K	976.73	Joback Calculated Property
Cp,gas	1029.56	J/mol×K	1009.54	Joback Calculated Property
Cp,gas	1041.88	J/mol×K	1042.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl dodec-9-yn-1-yl ester.

Sources

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

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