Chemical Properties of Diglycolic acid, hexyl 2-isopropylphenyl ester

InChI

InChI=1S/C19H28O5/c1-4-5-6-9-12-23-18(20)13-22-14-19(21)24-17-11-8-7-10-16(17)15(2)3/h7-8,10-11,15H,4-6,9,12-14H2,1-3H3

InChI Key

HVSOYJQRJDLWKT-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCCCCCOC(=O)COCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

336.42

• 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).
• Δ_vapH° : Enthalpy of vaporization 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°	45.02	kJ/mol	Joback Calculated Property
ΔvapH°	98.25	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.856		Crippen Calculated Property
McVol	275.560	ml/mol	McGowan Calculated Property
Pc	1346.69	kPa	Joback Calculated Property
Inp	[2821.00; 2821.00]
Inp	2821.00		NIST
Inp	2821.00		NIST
Tboil	629.98	K	Relay (1.0) Calculated Property
Tfus	288.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[836.02; 913.71]	J/mol×K	[804.40; 1001.63]
Cp,gas	836.02	J/mol×K	804.40	Joback Calculated Property
Cp,gas	851.97	J/mol×K	837.27	Joback Calculated Property
Cp,gas	866.71	J/mol×K	870.14	Joback Calculated Property
Cp,gas	880.24	J/mol×K	903.01	Joback Calculated Property
Cp,gas	892.58	J/mol×K	935.88	Joback Calculated Property
Cp,gas	903.73	J/mol×K	968.76	Joback Calculated Property
Cp,gas	913.71	J/mol×K	1001.63	Joback Calculated Property
η	[0.0000339; 0.0008257]	Pa×s	[434.72; 804.40]
η	0.0008257	Pa×s	434.72	Joback Calculated Property
η	0.0003485	Pa×s	496.33	Joback Calculated Property
η	0.0001779	Pa×s	557.95	Joback Calculated Property
η	0.0001038	Pa×s	619.56	Joback Calculated Property
η	0.0000668	Pa×s	681.17	Joback Calculated Property
η	0.0000462	Pa×s	742.79	Joback Calculated Property
η	0.0000339	Pa×s	804.40	Joback Calculated Property

Similar Compounds

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