Chemical Properties of Diglycolic acid, di(2-isopropylphenyl) ester

InChI

InChI=1S/C22H26O5/c1-15(2)17-9-5-7-11-19(17)26-21(23)13-25-14-22(24)27-20-12-8-6-10-18(20)16(3)4/h5-12,15-16H,13-14H2,1-4H3

InChI Key

UZAPBJLVRRZRNM-UHFFFAOYSA-N

Formula

C22H26O5

SMILES

CC(C)c1ccccc1OC(=O)COCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

370.44

• 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).
• 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
ΔfH°gas	-764.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.92	kJ/mol	Joback Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	4.461		Crippen Calculated Property
McVol	294.070	ml/mol	McGowan Calculated Property
Pc	1382.99	kPa	Joback Calculated Property
Inp	[3157.00; 3157.00]
Inp	3157.00		NIST
Inp	3157.00		NIST
Tboil	661.49	K	Relay (1.0) Calculated Property
Tc	920.19	K	Relay (1.0) Calculated Property
Tfus	363.63	K	Relay (1.0) Calculated Property
Vc	1.065	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization 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	[914.34; 974.45]	J/mol×K	[904.26; 1126.83]
Cp,gas	914.34	J/mol×K	904.26	Joback Calculated Property
Cp,gas	928.24	J/mol×K	941.36	Joback Calculated Property
Cp,gas	940.56	J/mol×K	978.45	Joback Calculated Property
Cp,gas	951.31	J/mol×K	1015.55	Joback Calculated Property
Cp,gas	960.53	J/mol×K	1052.64	Joback Calculated Property
Cp,gas	968.23	J/mol×K	1089.74	Joback Calculated Property
Cp,gas	974.45	J/mol×K	1126.83	Joback Calculated Property
η	[0.0000204; 0.0004418]	Pa×s	[492.47; 904.26]
η	0.0004418	Pa×s	492.47	Joback Calculated Property
η	0.0001935	Pa×s	561.10	Joback Calculated Property
η	0.0001015	Pa×s	629.73	Joback Calculated Property
η	0.0000604	Pa×s	698.37	Joback Calculated Property
η	0.0000395	Pa×s	767.00	Joback Calculated Property
η	0.0000276	Pa×s	835.63	Joback Calculated Property
η	0.0000204	Pa×s	904.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(2-isopropylphenyl) ester.

Sources

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

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