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

InChI

InChI=1S/C17H22O4/c1-12(2)10-11-20-16(18)8-9-17(19)21-15-7-5-6-13(3)14(15)4/h5-7,10H,8-9,11H2,1-4H3

InChI Key

PYTPFZOTHJFKTG-UHFFFAOYSA-N

Formula

C17H22O4

SMILES

CC(C)=CCOC(=O)CCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

290.35

• 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	0.7482		Relay (... Calculated Property
ΔfG°	-210.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-692.91	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.52	kJ/mol	Joback Calculated Property
ΔvapH°	92.02	kJ/mol	Relay (... Calculated Property
IE	8.04	eV	Relay (... Calculated Property
log10WS	-4.27		Relay (... Calculated Property
logPoct/wat	3.498		Crippen Calculated Property
McVol	237.210	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Tboil	610.14	K	Relay (... Calculated Property
Tc	816.12	K	Relay (... Calculated Property
Tfus	325.55	K	Relay (... Calculated Property
Vc	0.858	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.08; 753.47]	J/mol×K	[781.62; 991.04]
Cp,gas	678.08	J/mol×K	781.62	Joback Calculated Property
Cp,gas	693.06	J/mol×K	816.52	Joback Calculated Property
Cp,gas	707.04	J/mol×K	851.43	Joback Calculated Property
Cp,gas	720.05	J/mol×K	886.33	Joback Calculated Property
Cp,gas	732.11	J/mol×K	921.24	Joback Calculated Property
Cp,gas	743.24	J/mol×K	956.14	Joback Calculated Property
Cp,gas	753.47	J/mol×K	991.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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