Chemical Properties of Succinic acid, 2-isopropoxyphenyl 2-methoxyethyl ester

InChI

InChI=1S/C16H22O6/c1-12(2)21-13-6-4-5-7-14(13)22-16(18)9-8-15(17)20-11-10-19-3/h4-7,12H,8-11H2,1-3H3

InChI Key

AXZBTRPJMWEMNX-UHFFFAOYSA-N

Formula

C16H22O6

SMILES

COCCOC(=O)CCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

310.35

• 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°	38.44	kJ/mol	Joback Calculated Property
log10WS	-2.31		Relay (1.0) Calculated Property
logPoct/wat	2.349		Crippen Calculated Property
McVol	239.160	ml/mol	McGowan Calculated Property
Inp	[2182.00; 2182.00]
Inp	2182.00		NIST
Inp	2182.00		NIST
Tfus	309.51	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	[353.36; 776.97]	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			6.88740e+01
Coefficient B			1.15536e+00
Coefficient C			-4.02760e-04
Coefficient D			-4.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	353.36	J/mol×K	273.00	Calculated Property
Cp,gas	425.24	J/mol×K	353.78	Calculated Property
Cp,gas	491.23	J/mol×K	434.56	Calculated Property
Cp,gas	551.22	J/mol×K	515.33	Calculated Property
Cp,gas	605.05	J/mol×K	596.11	Calculated Property
Cp,gas	652.59	J/mol×K	676.89	Calculated Property
Cp,gas	693.69	J/mol×K	757.67	Calculated Property
Cp,gas	728.21	J/mol×K	838.44	Calculated Property
Cp,gas	756.02	J/mol×K	919.22	Calculated Property
Cp,gas	776.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007787; 0.0000645]	Pa×s	[423.14; 669.98]	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			-1.39183e+01
Coefficient B			2.86060e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			423.14
Temperature range, max.			669.98
η	0.0007787	Pa×s	423.14	Calculated Property
η	0.0005160	Pa×s	450.57	Calculated Property
η	0.0003585	Pa×s	477.99	Calculated Property
η	0.0002591	Pa×s	505.42	Calculated Property
η	0.0001936	Pa×s	532.84	Calculated Property
η	0.0001489	Pa×s	560.27	Calculated Property
η	0.0001173	Pa×s	587.70	Calculated Property
η	0.0000944	Pa×s	615.12	Calculated Property
η	0.0000774	Pa×s	642.55	Calculated Property
η	0.0000645	Pa×s	669.98	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-isopropoxyphenyl 2-methoxyethyl 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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