Chemical Properties of Diglycolic acid, hexyl 3-methylphenyl ester

InChI

InChI=1S/C17H24O5/c1-3-4-5-6-10-21-16(18)12-20-13-17(19)22-15-9-7-8-14(2)11-15/h7-9,11H,3-6,10,12-13H2,1-2H3

InChI Key

DIFSUVCSJUWIEZ-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

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

Molecular Weight¹

308.37

• 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).
• 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°	43.36	kJ/mol	Joback Calculated Property
ΔvapH°	94.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	3.041		Crippen Calculated Property
McVol	247.380	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	633.28	K	Relay (1.0) Calculated Property
Tfus	285.91	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 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	[721.15; 797.40]	J/mol×K	[759.08; 954.79]
Cp,gas	721.15	J/mol×K	759.08	Joback Calculated Property
Cp,gas	736.56	J/mol×K	791.70	Joback Calculated Property
Cp,gas	750.88	J/mol×K	824.32	Joback Calculated Property
Cp,gas	764.12	J/mol×K	856.94	Joback Calculated Property
Cp,gas	776.29	J/mol×K	889.56	Joback Calculated Property
Cp,gas	787.38	J/mol×K	922.17	Joback Calculated Property
Cp,gas	797.40	J/mol×K	954.79	Joback Calculated Property
η	[0.0000491; 0.0008578]	Pa×s	[427.18; 759.08]
η	0.0008578	Pa×s	427.18	Joback Calculated Property
η	0.0004052	Pa×s	482.50	Joback Calculated Property
η	0.0002233	Pa×s	537.81	Joback Calculated Property
η	0.0001375	Pa×s	593.13	Joback Calculated Property
η	0.0000920	Pa×s	648.45	Joback Calculated Property
η	0.0000656	Pa×s	703.76	Joback Calculated Property
η	0.0000491	Pa×s	759.08	Joback Calculated Property

Similar Compounds

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