Chemical Properties of Diglycolic acid, 4-chloro-2-methylphenyl isohexyl ester

InChI

InChI=1S/C17H23ClO5/c1-12(2)5-4-8-22-16(19)10-21-11-17(20)23-15-7-6-14(18)9-13(15)3/h6-7,9,12H,4-5,8,10-11H2,1-3H3

InChI Key

YFUGMMPEEARKTC-UHFFFAOYSA-N

Formula

C17H23ClO5

SMILES

Cc1cc(Cl)ccc1OC(=O)COCC(=O)OCCCC(C)C

Molecular Weight¹

342.81

• 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	0.8890		Relay (... Calculated Property
ΔfG°	-401.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-953.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.48	kJ/mol	Joback Calculated Property
ΔvapH°	95.68	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-4.42		Relay (... Calculated Property
logPoct/wat	3.550		Crippen Calculated Property
McVol	259.620	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[2906.00; 2906.00]
Inp	2906.00		NIST
Inp	2906.00		NIST
Tboil	639.61	K	Relay (... Calculated Property
Tc	838.72	K	Relay (... Calculated Property
Tfus	309.71	K	Relay (... Calculated Property
Vc	0.942	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[758.57; 824.96]	J/mol×K	[836.99; 1044.66]
Cp,gas	758.57	J/mol×K	836.99	Joback Calculated Property
Cp,gas	772.45	J/mol×K	871.60	Joback Calculated Property
Cp,gas	785.21	J/mol×K	906.21	Joback Calculated Property
Cp,gas	796.85	J/mol×K	940.83	Joback Calculated Property
Cp,gas	807.35	J/mol×K	975.44	Joback Calculated Property
Cp,gas	816.72	J/mol×K	1010.05	Joback Calculated Property
Cp,gas	824.96	J/mol×K	1044.66	Joback Calculated Property
η	[0.0000504; 0.0004467]	Pa×s	[514.28; 836.99]
η	0.0004467	Pa×s	514.28	Joback Calculated Property
η	0.0002614	Pa×s	568.06	Joback Calculated Property
η	0.0001678	Pa×s	621.85	Joback Calculated Property
η	0.0001156	Pa×s	675.63	Joback Calculated Property
η	0.0000842	Pa×s	729.42	Joback Calculated Property
η	0.0000640	Pa×s	783.20	Joback Calculated Property
η	0.0000504	Pa×s	836.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-chloro-2-methylphenyl isohexyl ester.

Sources

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

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