Chemical Properties of Diglycolic acid, 2,6-dimethoxyphenyl hexyl ester

InChI

InChI=1S/C18H26O7/c1-4-5-6-7-11-24-16(19)12-23-13-17(20)25-18-14(21-2)9-8-10-15(18)22-3/h8-10H,4-7,11-13H2,1-3H3

InChI Key

HFDRAMPSTHRARC-UHFFFAOYSA-N

Formula

C18H26O7

SMILES

CCCCCCOC(=O)COCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

354.39

• 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°	47.94	kJ/mol	Joback Calculated Property
ΔvapH°	100.68	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	2.749		Crippen Calculated Property
McVol	273.210	ml/mol	McGowan Calculated Property
Pc	1386.08	kPa	Joback Calculated Property
Inp	[3113.00; 3113.00]
Inp	3113.00		NIST
Inp	3113.00		NIST
Tboil	653.62	K	Relay (1.0) Calculated Property
Tfus	317.15	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	[834.59; 902.07]	J/mol×K	[831.78; 1029.42]
Cp,gas	834.59	J/mol×K	831.78	Joback Calculated Property
Cp,gas	849.11	J/mol×K	864.72	Joback Calculated Property
Cp,gas	862.34	J/mol×K	897.66	Joback Calculated Property
Cp,gas	874.28	J/mol×K	930.60	Joback Calculated Property
Cp,gas	884.90	J/mol×K	963.54	Joback Calculated Property
Cp,gas	894.17	J/mol×K	996.48	Joback Calculated Property
Cp,gas	902.07	J/mol×K	1029.42	Joback Calculated Property
η	[0.0000240; 0.0002973]	Pa×s	[495.43; 831.78]
η	0.0002973	Pa×s	495.43	Joback Calculated Property
η	0.0001580	Pa×s	551.49	Joback Calculated Property
η	0.0000943	Pa×s	607.55	Joback Calculated Property
η	0.0000614	Pa×s	663.61	Joback Calculated Property
η	0.0000428	Pa×s	719.66	Joback Calculated Property
η	0.0000314	Pa×s	775.72	Joback Calculated Property
η	0.0000240	Pa×s	831.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl hexyl 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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