Chemical Properties of Diglycolic acid, nonyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C21H40O5/c1-6-7-8-9-10-11-12-13-25-19(22)16-24-17-20(23)26-15-18(2)14-21(3,4)5/h18H,6-17H2,1-5H3

InChI Key

QFRGYYUUHAYZAR-UHFFFAOYSA-N

Formula

C21H40O5

SMILES

CCCCCCCCCOC(=O)COCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

372.54

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_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	1.0134		Relay (... Calculated Property
ΔfG°	-446.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1248.39	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.97	kJ/mol	Joback Calculated Property
ΔvapH°	93.54	kJ/mol	Relay (... Calculated Property
IE	9.26	eV	Relay (... Calculated Property
log10WS	-5.27		Relay (... Calculated Property
logPoct/wat	4.912		Crippen Calculated Property
McVol	327.500	ml/mol	McGowan Calculated Property
Pc	1019.43	kPa	Joback Calculated Property
Inp	[2937.00; 2937.00]
Inp	2937.00		NIST
Inp	2937.00		NIST
Tboil	635.86	K	Relay (... Calculated Property
Tc	795.20	K	Relay (... Calculated Property
Tfus	270.75	K	Relay (... Calculated Property
Vc	1.226	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1063.19; 1155.70]	J/mol×K	[851.21; 1043.75]
Cp,gas	1063.19	J/mol×K	851.21	Joback Calculated Property
Cp,gas	1081.54	J/mol×K	883.30	Joback Calculated Property
Cp,gas	1098.68	J/mol×K	915.39	Joback Calculated Property
Cp,gas	1114.64	J/mol×K	947.48	Joback Calculated Property
Cp,gas	1129.44	J/mol×K	979.57	Joback Calculated Property
Cp,gas	1143.12	J/mol×K	1011.66	Joback Calculated Property
Cp,gas	1155.70	J/mol×K	1043.75	Joback Calculated Property
η	[0.0000248; 0.0005533]	Pa×s	[480.40; 851.21]
η	0.0005533	Pa×s	480.40	Joback Calculated Property
η	0.0002455	Pa×s	542.20	Joback Calculated Property
η	0.0001286	Pa×s	604.00	Joback Calculated Property
η	0.0000760	Pa×s	665.81	Joback Calculated Property
η	0.0000491	Pa×s	727.61	Joback Calculated Property
η	0.0000340	Pa×s	789.41	Joback Calculated Property
η	0.0000248	Pa×s	851.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, nonyl 2,4,4-trimethylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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