Chemical Properties of Diglycolic acid, 2-acetylphenyl octyl ester

InChI

InChI=1S/C20H28O6/c1-3-4-5-6-7-10-13-25-19(22)14-24-15-20(23)26-18-12-9-8-11-17(18)16(2)21/h8-9,11-12H,3-7,10,13-15H2,1-2H3

InChI Key

KNUYXZORSDYQKX-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

CCCCCCCCOC(=O)COCC(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

364.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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
ΔfH°gas	-1079.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.57	kJ/mol	Joback Calculated Property
ΔvapH°	103.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	291.220	ml/mol	McGowan Calculated Property
Pc	1388.15	kPa	Joback Calculated Property
Inp	[3222.00; 3222.00]
Inp	3222.00		NIST
Inp	3222.00		NIST
Tboil	656.71	K	Relay (1.0) Calculated Property
Tfus	308.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[922.03; 984.59]	J/mol×K	[917.53; 1128.02]
Cp,gas	922.03	J/mol×K	917.53	Joback Calculated Property
Cp,gas	935.73	J/mol×K	952.61	Joback Calculated Property
Cp,gas	948.11	J/mol×K	987.69	Joback Calculated Property
Cp,gas	959.17	J/mol×K	1022.78	Joback Calculated Property
Cp,gas	968.94	J/mol×K	1057.86	Joback Calculated Property
Cp,gas	977.41	J/mol×K	1092.94	Joback Calculated Property
Cp,gas	984.59	J/mol×K	1128.02	Joback Calculated Property
η	[0.0000391; 0.0003440]	Pa×s	[570.58; 917.53]
η	0.0003440	Pa×s	570.58	Joback Calculated Property
η	0.0002026	Pa×s	628.40	Joback Calculated Property
η	0.0001305	Pa×s	686.23	Joback Calculated Property
η	0.0000900	Pa×s	744.05	Joback Calculated Property
η	0.0000655	Pa×s	801.88	Joback Calculated Property
η	0.0000497	Pa×s	859.70	Joback Calculated Property
η	0.0000391	Pa×s	917.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-acetylphenyl octyl 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.