Chemical Properties of Succinic acid, 3-methylbut-2-en-1-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C16H19ClO5/c1-11(2)8-9-21-15(18)6-7-16(19)22-13-5-4-12(17)10-14(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3

InChI Key

ICEXRWOTHWBXRQ-UHFFFAOYSA-N

Formula

C16H19ClO5

SMILES

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

Molecular Weight¹

326.77

• 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°	-336.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-690.11	kJ/mol	Joback Calculated Property
ΔfusH°	40.31	kJ/mol	Joback Calculated Property
ΔvapH°	79.95	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.544		Crippen Calculated Property
McVol	241.230	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	818.59	K	Joback Calculated Property
Tc	1032.35	K	Joback Calculated Property
Tfus	498.97	K	Joback Calculated Property
Vc	0.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.77; 738.47]	J/mol×K	[818.59; 1032.35]
Cp,gas	674.77	J/mol×K	818.59	Joback Calculated Property
Cp,gas	687.91	J/mol×K	854.22	Joback Calculated Property
Cp,gas	700.03	J/mol×K	889.84	Joback Calculated Property
Cp,gas	711.13	J/mol×K	925.47	Joback Calculated Property
Cp,gas	721.24	J/mol×K	961.10	Joback Calculated Property
Cp,gas	730.35	J/mol×K	996.73	Joback Calculated Property
Cp,gas	738.47	J/mol×K	1032.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-en-1-yl 4-chloro-2-methoxyphenyl ester.

Sources

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

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