Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C17H22O5/c1-12(2)9-10-21-16(18)7-8-17(19)22-15-11-13(3)5-6-14(15)20-4/h5-6,9,11H,7-8,10H2,1-4H3

InChI Key

WETQVYVWALNVMO-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

COc1ccc(C)cc1OC(=O)CCC(=O)OCC=C(C)C

Molecular Weight¹

306.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8156		Relay (... Calculated Property
ΔfG°	-315.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-805.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.70	kJ/mol	Joback Calculated Property
ΔvapH°	94.79	kJ/mol	Relay (... Calculated Property
IE	7.80	eV	Relay (... Calculated Property
log10WS	-3.83		Relay (... Calculated Property
logPoct/wat	3.199		Crippen Calculated Property
McVol	243.080	ml/mol	McGowan Calculated Property
Pc	1711.78	kPa	Joback Calculated Property
Inp	[2276.00; 2276.00]
Inp	2276.00		NIST
Inp	2276.00		NIST
Tboil	621.08	K	Relay (... Calculated Property
Tc	820.29	K	Relay (... Calculated Property
Tfus	326.39	K	Relay (... Calculated Property
Vc	0.884	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.77; 777.77]	J/mol×K	[804.04; 1012.60]
Cp,gas	705.77	J/mol×K	804.04	Joback Calculated Property
Cp,gas	720.34	J/mol×K	838.80	Joback Calculated Property
Cp,gas	733.87	J/mol×K	873.56	Joback Calculated Property
Cp,gas	746.36	J/mol×K	908.32	Joback Calculated Property
Cp,gas	757.84	J/mol×K	943.08	Joback Calculated Property
Cp,gas	768.31	J/mol×K	977.84	Joback Calculated Property
Cp,gas	777.77	J/mol×K	1012.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 2-methoxy-5-methylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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