Chemical Properties of Succinic acid, 3-methylbut-2-yl 2-methoxyphenyl ester

InChI

InChI=1S/C16H22O5/c1-11(2)12(3)20-15(17)9-10-16(18)21-14-8-6-5-7-13(14)19-4/h5-8,11-12H,9-10H2,1-4H3

InChI Key

GYHLCWKMIFTDMN-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

COc1ccccc1OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

294.34

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7957		Relay (1.0) Calculated Property
ΔfG°	-391.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.56	kJ/mol	Joback Calculated Property
ΔvapH°	87.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.968		Crippen Calculated Property
McVol	233.290	ml/mol	McGowan Calculated Property
Pc	1815.41	kPa	Joback Calculated Property
Inp	[2065.00; 2065.00]
Inp	2065.00		NIST
Inp	2065.00		NIST
Tboil	598.34	K	Relay (1.0) Calculated Property
Tc	800.49	K	Relay (1.0) Calculated Property
Tfus	329.60	K	Relay (1.0) Calculated Property
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[677.40; 752.15]	J/mol×K	[771.26; 977.91]
Cp,gas	677.40	J/mol×K	771.26	Joback Calculated Property
Cp,gas	692.56	J/mol×K	805.70	Joback Calculated Property
Cp,gas	706.64	J/mol×K	840.14	Joback Calculated Property
Cp,gas	719.65	J/mol×K	874.58	Joback Calculated Property
Cp,gas	731.56	J/mol×K	909.03	Joback Calculated Property
Cp,gas	742.40	J/mol×K	943.47	Joback Calculated Property
Cp,gas	752.15	J/mol×K	977.91	Joback Calculated Property
η	[0.0000604; 0.0008051]	Pa×s	[445.57; 771.26]
η	0.0008051	Pa×s	445.57	Joback Calculated Property
η	0.0004136	Pa×s	499.85	Joback Calculated Property
η	0.0002420	Pa×s	554.13	Joback Calculated Property
η	0.0001559	Pa×s	608.41	Joback Calculated Property
η	0.0001079	Pa×s	662.70	Joback Calculated Property
η	0.0000789	Pa×s	716.98	Joback Calculated Property
η	0.0000604	Pa×s	771.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 2-methoxyphenyl ester.

Sources

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

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