Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 1-phenylpropyl ester

InChI

InChI=1S/C18H24O4/c1-4-16(15-8-6-5-7-9-15)22-18(20)11-10-17(19)21-13-12-14(2)3/h5-9,12,16H,4,10-11,13H2,1-3H3

InChI Key

AAIBGICLDSKGCK-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CCC(OC(=O)CCC(=O)OCC=C(C)C)c1ccccc1

Molecular Weight¹

304.38

• 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°	-185.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-565.77	kJ/mol	Joback Calculated Property
ΔfusH°	37.36	kJ/mol	Joback Calculated Property
ΔvapH°	75.90	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	3.970		Crippen Calculated Property
McVol	251.300	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[2112.00; 2112.00]
Inp	2112.00		NIST
Inp	2112.00		NIST
Tboil	794.10	K	Joback Calculated Property
Tc	1003.13	K	Joback Calculated Property
Tfus	429.32	K	Joback Calculated Property
Vc	0.959	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.74; 815.08]	J/mol×K	[794.10; 1003.13]
Cp,gas	736.74	J/mol×K	794.10	Joback Calculated Property
Cp,gas	752.37	J/mol×K	828.94	Joback Calculated Property
Cp,gas	766.92	J/mol×K	863.78	Joback Calculated Property
Cp,gas	780.43	J/mol×K	898.62	Joback Calculated Property
Cp,gas	792.93	J/mol×K	933.45	Joback Calculated Property
Cp,gas	804.47	J/mol×K	968.29	Joback Calculated Property
Cp,gas	815.08	J/mol×K	1003.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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