Chemical Properties of Diglycolic acid, 2-isopropylphenyl pentyl ester

InChI

InChI=1S/C18H26O5/c1-4-5-8-11-22-17(19)12-21-13-18(20)23-16-10-7-6-9-15(16)14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3

InChI Key

QREZTYLBQIDPGF-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CCCCCOC(=O)COCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

322.40

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.43	kJ/mol	Joback Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.465		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1446.83	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	622.13	K	Relay (1.0) Calculated Property
Tfus	286.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[380.39; 861.66]	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			4.15560e+01
Coefficient B			1.40856e+00
Coefficient C			-6.22560e-04
Coefficient D			3.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	380.39	J/mol×K	273.00	Calculated Property
Cp,gas	463.46	J/mol×K	353.78	Calculated Property
Cp,gas	538.89	J/mol×K	434.56	Calculated Property
Cp,gas	606.77	J/mol×K	515.33	Calculated Property
Cp,gas	667.21	J/mol×K	596.11	Calculated Property
Cp,gas	720.33	J/mol×K	676.89	Calculated Property
Cp,gas	766.22	J/mol×K	757.67	Calculated Property
Cp,gas	805.00	J/mol×K	838.44	Calculated Property
Cp,gas	836.78	J/mol×K	919.22	Calculated Property
Cp,gas	861.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009300; 0.0000663]	Pa×s	[423.45; 685.28]	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			-1.38922e+01
Coefficient B			2.92683e+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.			423.45
Temperature range, max.			685.28
η	0.0009300	Pa×s	423.45	Calculated Property
η	0.0005964	Pa×s	452.54	Calculated Property
η	0.0004035	Pa×s	481.63	Calculated Property
η	0.0002854	Pa×s	510.73	Calculated Property
η	0.0002096	Pa×s	539.82	Calculated Property
η	0.0001588	Pa×s	568.91	Calculated Property
η	0.0001237	Pa×s	598.00	Calculated Property
η	0.0000986	Pa×s	627.09	Calculated Property
η	0.0000801	Pa×s	656.19	Calculated Property
η	0.0000663	Pa×s	685.28	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-isopropylphenyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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