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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.54	kJ/mol	Joback Calculated Property
logPoct/wat	3.622		Crippen Calculated Property
McVol	245.530	ml/mol	McGowan Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Tfus	331.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.60; 764.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.88820e+01
Coefficient B			1.17178e+00
Coefficient C			-4.70320e-04
Coefficient D			-6.10000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.60	J/mol×K	273.00	Calculated Property
Cp,gas	424.30	J/mol×K	353.78	Calculated Property
Cp,gas	488.77	J/mol×K	434.56	Calculated Property
Cp,gas	547.00	J/mol×K	515.33	Calculated Property
Cp,gas	598.97	J/mol×K	596.11	Calculated Property
Cp,gas	644.66	J/mol×K	676.89	Calculated Property
Cp,gas	684.06	J/mol×K	757.67	Calculated Property
Cp,gas	717.13	J/mol×K	838.44	Calculated Property
Cp,gas	743.86	J/mol×K	919.22	Calculated Property
Cp,gas	764.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008702; 0.0000673]	Pa×s	[428.35; 689.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.38086e+01
Coefficient B			2.89639e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			428.35
Temperature range, max.			689.35
η	0.0008702	Pa×s	428.35	Calculated Property
η	0.0005668	Pa×s	457.35	Calculated Property
η	0.0003885	Pa×s	486.35	Calculated Property
η	0.0002779	Pa×s	515.35	Calculated Property
η	0.0002060	Pa×s	544.35	Calculated Property
η	0.0001574	Pa×s	573.35	Calculated Property
η	0.0001234	Pa×s	602.35	Calculated Property
η	0.0000989	Pa×s	631.35	Calculated Property
η	0.0000809	Pa×s	660.35	Calculated Property
η	0.0000673	Pa×s	689.35	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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