Chemical Properties of Diglycolic acid, 2,5-dimethylphenyl isohexyl ester

InChI

InChI=1S/C18H26O5/c1-13(2)6-5-9-22-17(19)11-21-12-18(20)23-16-10-14(3)7-8-15(16)4/h7-8,10,13H,5-6,9,11-12H2,1-4H3

InChI Key

NKGTXEPZAXTTLA-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

Cc1ccc(C)c(OC(=O)COCC(=O)OCCCC(C)C)c1

Molecular Weight¹

322.40

• 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	0.9056		Relay (... Calculated Property
ΔfG°	-381.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.88	kJ/mol	Joback Calculated Property
ΔvapH°	93.92	kJ/mol	Relay (... Calculated Property
IE	8.11	eV	Relay (... Calculated Property
log10WS	-3.91		Relay (... Calculated Property
logPoct/wat	3.205		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2780.00; 2780.00]
Inp	2780.00		NIST
Inp	2780.00		NIST
Tboil	636.08	K	Relay (... Calculated Property
Tc	829.71	K	Relay (... Calculated Property
Tfus	308.33	K	Relay (... Calculated Property
Vc	0.960	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.76; 864.54]	J/mol×K	[822.44; 1025.37]
Cp,gas	789.76	J/mol×K	822.44	Joback Calculated Property
Cp,gas	805.07	J/mol×K	856.26	Joback Calculated Property
Cp,gas	819.24	J/mol×K	890.08	Joback Calculated Property
Cp,gas	832.27	J/mol×K	923.90	Joback Calculated Property
Cp,gas	844.17	J/mol×K	957.73	Joback Calculated Property
Cp,gas	854.92	J/mol×K	991.55	Joback Calculated Property
Cp,gas	864.54	J/mol×K	1025.37	Joback Calculated Property
η	[0.0000505; 0.0004891]	Pa×s	[495.63; 822.44]
η	0.0004891	Pa×s	495.63	Joback Calculated Property
η	0.0002778	Pa×s	550.10	Joback Calculated Property
η	0.0001747	Pa×s	604.57	Joback Calculated Property
η	0.0001186	Pa×s	659.03	Joback Calculated Property
η	0.0000854	Pa×s	713.50	Joback Calculated Property
η	0.0000644	Pa×s	767.97	Joback Calculated Property
η	0.0000505	Pa×s	822.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl isohexyl ester.

Sources

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

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