Chemical Properties of Diglycolic acid, isohexyl 2-isopropylphenyl ester

InChI

InChI=1S/C19H28O5/c1-14(2)8-7-11-23-18(20)12-22-13-19(21)24-17-10-6-5-9-16(17)15(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3

InChI Key

ATAVRMGZAICUFC-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CC(C)CCCOC(=O)COCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

336.42

• 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	0.9070		Relay (1.0) Calculated Property
ΔfG°	-365.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-949.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.33	kJ/mol	Joback Calculated Property
ΔvapH°	95.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	3.711		Crippen Calculated Property
McVol	275.560	ml/mol	McGowan Calculated Property
Pc	1440.25	kPa	Joback Calculated Property
Inp	[2774.00; 2774.00]
Inp	2774.00		NIST
Inp	2774.00		NIST
Tboil	629.61	K	Relay (1.0) Calculated Property
Tc	831.95	K	Relay (1.0) Calculated Property
Tfus	298.32	K	Relay (1.0) Calculated Property
Vc	1.005	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[849.22; 925.38]	J/mol×K	[839.90; 1044.02]
Cp,gas	849.22	J/mol×K	839.90	Joback Calculated Property
Cp,gas	864.93	J/mol×K	873.92	Joback Calculated Property
Cp,gas	879.43	J/mol×K	907.94	Joback Calculated Property
Cp,gas	892.71	J/mol×K	941.96	Joback Calculated Property
Cp,gas	904.79	J/mol×K	975.98	Joback Calculated Property
Cp,gas	915.68	J/mol×K	1010.00	Joback Calculated Property
Cp,gas	925.38	J/mol×K	1044.02	Joback Calculated Property
η	[0.0000398; 0.0005924]	Pa×s	[479.38; 839.90]
η	0.0005924	Pa×s	479.38	Joback Calculated Property
η	0.0002940	Pa×s	539.47	Joback Calculated Property
η	0.0001679	Pa×s	599.55	Joback Calculated Property
η	0.0001062	Pa×s	659.64	Joback Calculated Property
η	0.0000725	Pa×s	719.73	Joback Calculated Property
η	0.0000525	Pa×s	779.81	Joback Calculated Property
η	0.0000398	Pa×s	839.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isohexyl 2-isopropylphenyl ester.

Sources

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

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