Chemical Properties of Diglycolic acid, 2-acetylphenyl butyl ester

InChI

InChI=1S/C16H20O6/c1-3-4-9-21-15(18)10-20-11-16(19)22-14-8-6-5-7-13(14)12(2)17/h5-8H,3-4,9-11H2,1-2H3

InChI Key

CTNVLYZEVOPPNW-UHFFFAOYSA-N

Formula

C16H20O6

SMILES

CCCCOC(=O)COCC(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

308.33

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9029		Relay (1.0) Calculated Property
ΔfH°gas	-1002.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.21	kJ/mol	Joback Calculated Property
ΔvapH°	91.40	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.63		Relay (1.0) Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	234.860	ml/mol	McGowan Calculated Property
Pc	1890.36	kPa	Joback Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	627.75	K	Relay (1.0) Calculated Property
Tc	835.27	K	Relay (1.0) Calculated Property
Tfus	294.59	K	Relay (1.0) Calculated Property
Vc	0.865	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[691.41; 753.18]	J/mol×K	[826.01; 1034.00]
Cp,gas	691.41	J/mol×K	826.01	Joback Calculated Property
Cp,gas	704.43	J/mol×K	860.67	Joback Calculated Property
Cp,gas	716.36	J/mol×K	895.34	Joback Calculated Property
Cp,gas	727.21	J/mol×K	930.00	Joback Calculated Property
Cp,gas	736.96	J/mol×K	964.67	Joback Calculated Property
Cp,gas	745.62	J/mol×K	999.33	Joback Calculated Property
Cp,gas	753.18	J/mol×K	1034.00	Joback Calculated Property
η	[0.0000691; 0.0005159]	Pa×s	[525.50; 826.01]
η	0.0005159	Pa×s	525.50	Joback Calculated Property
η	0.0003189	Pa×s	575.59	Joback Calculated Property
η	0.0002130	Pa×s	625.67	Joback Calculated Property
η	0.0001510	Pa×s	675.75	Joback Calculated Property
η	0.0001122	Pa×s	725.84	Joback Calculated Property
η	0.0000867	Pa×s	775.92	Joback Calculated Property
η	0.0000691	Pa×s	826.01	Joback Calculated Property

Similar Compounds

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