Chemical Properties of Diglycolic acid, 4-chloro-2-methylphenyl propyl ester

InChI

InChI=1S/C14H17ClO5/c1-3-6-19-13(16)8-18-9-14(17)20-12-5-4-11(15)7-10(12)2/h4-5,7H,3,6,8-9H2,1-2H3

InChI Key

DSKTUHJJUFQFEB-UHFFFAOYSA-N

Formula

C14H17ClO5

SMILES

CCCOC(=O)COCC(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

300.74

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	39.40	kJ/mol	Joback Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	2.524		Crippen Calculated Property
McVol	217.350	ml/mol	McGowan Calculated Property
Inp	[2571.00; 2571.00]
Inp	2571.00		NIST
Inp	2571.00		NIST
Tfus	294.28	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 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	[311.80; 659.98]	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			7.40640e+01
Coefficient B			9.69940e-01
Coefficient C			-3.55120e-04
Coefficient D			-2.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.80	J/mol×K	273.00	Calculated Property
Cp,gas	371.48	J/mol×K	353.78	Calculated Property
Cp,gas	426.12	J/mol×K	434.56	Calculated Property
Cp,gas	475.64	J/mol×K	515.33	Calculated Property
Cp,gas	519.94	J/mol×K	596.11	Calculated Property
Cp,gas	558.93	J/mol×K	676.89	Calculated Property
Cp,gas	592.53	J/mol×K	757.67	Calculated Property
Cp,gas	620.63	J/mol×K	838.44	Calculated Property
Cp,gas	643.14	J/mol×K	919.22	Calculated Property
Cp,gas	659.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007530; 0.0000989]	Pa×s	[435.81; 656.36]	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			-1.32318e+01
Coefficient B			2.63243e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			435.81
Temperature range, max.			656.36
η	0.0007530	Pa×s	435.81	Calculated Property
η	0.0005459	Pa×s	460.32	Calculated Property
η	0.0004089	Pa×s	484.82	Calculated Property
η	0.0003149	Pa×s	509.33	Calculated Property
η	0.0002484	Pa×s	533.83	Calculated Property
η	0.0002000	Pa×s	558.34	Calculated Property
η	0.0001641	Pa×s	582.84	Calculated Property
η	0.0001367	Pa×s	607.35	Calculated Property
η	0.0001156	Pa×s	631.85	Calculated Property
η	0.0000989	Pa×s	656.36	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl propyl 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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