Chemical Properties of Diglycolic acid, 3-methylphenyl pentyl ester

InChI

InChI=1S/C16H22O5/c1-3-4-5-9-20-15(17)11-19-12-16(18)21-14-8-6-7-13(2)10-14/h6-8,10H,3-5,9,11-12H2,1-2H3

InChI Key

GIWCYMIPISQFSG-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCCCCOC(=O)COCC(=O)Oc1cccc(C)c1

Molecular Weight¹

294.35

• 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).
• IE : Ionization energy (eV).
• 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°	40.77	kJ/mol	Joback Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	2.650		Crippen Calculated Property
McVol	233.290	ml/mol	McGowan Calculated Property
Pc	1672.79	kPa	Joback Calculated Property
Inp	[2635.00; 2635.00]
Inp	2635.00		NIST
Inp	2635.00		NIST
Tboil	625.00	K	Relay (1.0) Calculated Property
Tfus	283.45	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 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	[338.27; 757.94]	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			4.50560e+01
Coefficient B			1.21264e+00
Coefficient C			-5.10560e-04
Coefficient D			1.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.27	J/mol×K	273.00	Calculated Property
Cp,gas	410.64	J/mol×K	353.78	Calculated Property
Cp,gas	476.49	J/mol×K	434.56	Calculated Property
Cp,gas	535.86	J/mol×K	515.33	Calculated Property
Cp,gas	588.79	J/mol×K	596.11	Calculated Property
Cp,gas	635.30	J/mol×K	676.89	Calculated Property
Cp,gas	675.44	J/mol×K	757.67	Calculated Property
Cp,gas	709.23	J/mol×K	838.44	Calculated Property
Cp,gas	736.72	J/mol×K	919.22	Calculated Property
Cp,gas	757.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009512; 0.0000900]	Pa×s	[415.91; 653.09]	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			-1.34512e+01
Coefficient B			2.70069e+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.			415.91
Temperature range, max.			653.09
η	0.0009512	Pa×s	415.91	Calculated Property
η	0.0006460	Pa×s	442.26	Calculated Property
η	0.0004582	Pa×s	468.62	Calculated Property
η	0.0003372	Pa×s	494.97	Calculated Property
η	0.0002559	Pa×s	521.32	Calculated Property
η	0.0001994	Pa×s	547.67	Calculated Property
η	0.0001590	Pa×s	574.03	Calculated Property
η	0.0001294	Pa×s	600.38	Calculated Property
η	0.0001071	Pa×s	626.73	Calculated Property
η	0.0000900	Pa×s	653.09	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 3-methylphenyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.