Chemical Properties of Diglycolic acid, 2-isopropylphenyl octyl ester

InChI

InChI=1S/C21H32O5/c1-4-5-6-7-8-11-14-25-20(22)15-24-16-21(23)26-19-13-10-9-12-18(19)17(2)3/h9-10,12-13,17H,4-8,11,14-16H2,1-3H3

InChI Key

VMZAPLIIQYJQNC-UHFFFAOYSA-N

Formula

C21H32O5

SMILES

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

Molecular Weight¹

364.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfusH°	50.20	kJ/mol	Joback Calculated Property
ΔvapH°	104.67	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.97		Relay (1.0) Calculated Property
logPoct/wat	4.636		Crippen Calculated Property
McVol	303.740	ml/mol	McGowan Calculated Property
Pc	1175.24	kPa	Joback Calculated Property
Inp	[3076.00; 3076.00]
Inp	3076.00		NIST
Inp	3076.00		NIST
Tboil	644.36	K	Relay (1.0) Calculated Property
Tfus	294.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[953.59; 1031.27]	J/mol×K	[850.16; 1048.91]
Cp,gas	953.59	J/mol×K	850.16	Joback Calculated Property
Cp,gas	969.78	J/mol×K	883.28	Joback Calculated Property
Cp,gas	984.66	J/mol×K	916.41	Joback Calculated Property
Cp,gas	998.23	J/mol×K	949.53	Joback Calculated Property
Cp,gas	1010.51	J/mol×K	982.66	Joback Calculated Property
Cp,gas	1021.52	J/mol×K	1015.78	Joback Calculated Property
Cp,gas	1031.27	J/mol×K	1048.91	Joback Calculated Property
η	[0.0000251; 0.0006439]	Pa×s	[457.26; 850.16]
η	0.0006439	Pa×s	457.26	Joback Calculated Property
η	0.0002673	Pa×s	522.74	Joback Calculated Property
η	0.0001349	Pa×s	588.23	Joback Calculated Property
η	0.0000781	Pa×s	653.71	Joback Calculated Property
η	0.0000500	Pa×s	719.19	Joback Calculated Property
η	0.0000344	Pa×s	784.68	Joback Calculated Property
η	0.0000251	Pa×s	850.16	Joback Calculated Property

Similar Compounds

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