Chemical Properties of Succinic acid, 3-methylbut-2-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C16H21ClO5/c1-10(2)11(3)21-15(18)7-8-16(19)22-13-6-5-12(17)9-14(13)20-4/h5-6,9-11H,7-8H2,1-4H3

InChI Key

NOGMJYGQKLWFNA-UHFFFAOYSA-N

Formula

C16H21ClO5

SMILES

COc1cc(Cl)ccc1OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

328.79

• 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).
• 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°	-412.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-808.10	kJ/mol	Joback Calculated Property
ΔfusH°	34.37	kJ/mol	Joback Calculated Property
ΔvapH°	79.14	kJ/mol	Joback Calculated Property
log10WS	-4.25		Crippen Calculated Property
logPoct/wat	3.622		Crippen Calculated Property
McVol	245.530	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Tboil	813.67	K	Joback Calculated Property
Tc	1024.81	K	Joback Calculated Property
Tfus	488.01	K	Joback Calculated Property
Vc	0.926	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.54; 768.73]	J/mol×K	[813.67; 1024.81]
Cp,gas	702.54	J/mol×K	813.67	Joback Calculated Property
Cp,gas	716.37	J/mol×K	848.86	Joback Calculated Property
Cp,gas	729.09	J/mol×K	884.05	Joback Calculated Property
Cp,gas	740.70	J/mol×K	919.24	Joback Calculated Property
Cp,gas	751.17	J/mol×K	954.43	Joback Calculated Property
Cp,gas	760.52	J/mol×K	989.62	Joback Calculated Property
Cp,gas	768.73	J/mol×K	1024.81	Joback Calculated Property
η	[0.0000532; 0.0005523]	Pa×s	[488.01; 813.67]
η	0.0005523	Pa×s	488.01	Joback Calculated Property
η	0.0003076	Pa×s	542.29	Joback Calculated Property
η	0.0001906	Pa×s	596.56	Joback Calculated Property
η	0.0001279	Pa×s	650.84	Joback Calculated Property
η	0.0000913	Pa×s	705.12	Joback Calculated Property
η	0.0000683	Pa×s	759.39	Joback Calculated Property
η	0.0000532	Pa×s	813.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-chloro-2-methoxyphenyl ester.

Sources

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

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