Chemical Properties of Diglycolic acid, 2-isopropylphenyl propyl ester

InChI

InChI=1S/C16H22O5/c1-4-9-20-15(17)10-19-11-16(18)21-14-8-6-5-7-13(14)12(2)3/h5-8,12H,4,9-11H2,1-3H3

InChI Key

HBIAXHWJIREAAN-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCCOC(=O)COCC(=O)Oc1ccccc1C(C)C

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).
• 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°	37.25	kJ/mol	Joback Calculated Property
log10WS	-3.20		Relay (1.0) Calculated Property
logPoct/wat	2.685		Crippen Calculated Property
McVol	233.290	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	608.36	K	Relay (1.0) Calculated Property
Tfus	289.77	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	[337.96; 758.47]	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			4.33740e+01
Coefficient B			1.21856e+00
Coefficient C			-5.13760e-04
Coefficient D			1.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.96	J/mol×K	273.00	Calculated Property
Cp,gas	410.63	J/mol×K	353.78	Calculated Property
Cp,gas	476.73	J/mol×K	434.56	Calculated Property
Cp,gas	536.31	J/mol×K	515.33	Calculated Property
Cp,gas	589.39	J/mol×K	596.11	Calculated Property
Cp,gas	636.00	J/mol×K	676.89	Calculated Property
Cp,gas	676.19	J/mol×K	757.67	Calculated Property
Cp,gas	709.97	J/mol×K	838.44	Calculated Property
Cp,gas	737.39	J/mol×K	919.22	Calculated Property
Cp,gas	758.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011656; 0.0000825]	Pa×s	[400.91; 654.76]	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			-1.35852e+01
Coefficient B			2.73851e+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.			400.91
Temperature range, max.			654.76
η	0.0011656	Pa×s	400.91	Calculated Property
η	0.0007440	Pa×s	429.12	Calculated Property
η	0.0005019	Pa×s	457.32	Calculated Property
η	0.0003545	Pa×s	485.53	Calculated Property
η	0.0002601	Pa×s	513.73	Calculated Property
η	0.0001971	Pa×s	541.94	Calculated Property
η	0.0001535	Pa×s	570.14	Calculated Property
η	0.0001224	Pa×s	598.35	Calculated Property
η	0.0000996	Pa×s	626.55	Calculated Property
η	0.0000825	Pa×s	654.76	Calculated Property

Similar Compounds

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

Sources

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

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