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

InChI

InChI=1S/C17H23ClO5/c1-5-13(11(2)3)22-16(19)8-9-17(20)23-14-7-6-12(18)10-15(14)21-4/h6-7,10-11,13H,5,8-9H2,1-4H3

InChI Key

HLLVWLHRKYHFFD-UHFFFAOYSA-N

Formula

C17H23ClO5

SMILES

CCC(OC(=O)CCC(=O)Oc1ccc(Cl)cc1OC)C(C)C

Molecular Weight¹

342.81

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.13	kJ/mol	Joback Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	259.620	ml/mol	McGowan Calculated Property
Inp	[2327.00; 2327.00]
Inp	2327.00		NIST
Inp	2327.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[374.82; 815.83]	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			6.79730e+01
Coefficient B			1.26678e+00
Coefficient C			-5.24720e-04
Coefficient D			5.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.82	J/mol×K	273.00	Calculated Property
Cp,gas	450.72	J/mol×K	353.78	Calculated Property
Cp,gas	519.85	J/mol×K	434.56	Calculated Property
Cp,gas	582.23	J/mol×K	515.33	Calculated Property
Cp,gas	637.88	J/mol×K	596.11	Calculated Property
Cp,gas	686.83	J/mol×K	676.89	Calculated Property
Cp,gas	729.07	J/mol×K	757.67	Calculated Property
Cp,gas	764.64	J/mol×K	838.44	Calculated Property
Cp,gas	793.56	J/mol×K	919.22	Calculated Property
Cp,gas	815.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007746; 0.0000601]	Pa×s	[439.62; 704.40]	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			-1.39658e+01
Coefficient B			2.99055e+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.			439.62
Temperature range, max.			704.40
η	0.0007746	Pa×s	439.62	Calculated Property
η	0.0005055	Pa×s	469.04	Calculated Property
η	0.0003470	Pa×s	498.46	Calculated Property
η	0.0002484	Pa×s	527.88	Calculated Property
η	0.0001842	Pa×s	557.30	Calculated Property
η	0.0001407	Pa×s	586.72	Calculated Property
η	0.0001103	Pa×s	616.14	Calculated Property
η	0.0000884	Pa×s	645.56	Calculated Property
η	0.0000723	Pa×s	674.98	Calculated Property
η	0.0000601	Pa×s	704.40	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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