Chemical Properties of Glutaric acid, 2-ethylhexyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C21H32O4/c1-5-7-11-18(6-2)15-24-20(22)13-9-14-21(23)25-19-12-8-10-16(3)17(19)4/h8,10,12,18H,5-7,9,11,13-15H2,1-4H3

InChI Key

KXOIFRUPFKMKHJ-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

348.48

• 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	0.9480		Relay (... Calculated Property
ΔfG°	-251.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-882.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.46	kJ/mol	Joback Calculated Property
ΔvapH°	101.76	kJ/mol	Relay (... Calculated Property
IE	8.13	eV	Relay (... Calculated Property
log10WS	-5.26		Relay (... Calculated Property
logPoct/wat	5.139		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1245.97	kPa	Joback Calculated Property
Inp	[2505.00; 2505.00]
Inp	2505.00		NIST
Inp	2505.00		NIST
Tboil	645.25	K	Relay (... Calculated Property
Tc	846.88	K	Relay (... Calculated Property
Tfus	279.14	K	Relay (... Calculated Property
Vc	1.084	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[937.05; 1017.41]	J/mol×K	[868.66; 1072.18]
Cp,gas	937.05	J/mol×K	868.66	Joback Calculated Property
Cp,gas	953.40	J/mol×K	902.58	Joback Calculated Property
Cp,gas	968.55	J/mol×K	936.50	Joback Calculated Property
Cp,gas	982.50	J/mol×K	970.42	Joback Calculated Property
Cp,gas	995.28	J/mol×K	1004.34	Joback Calculated Property
Cp,gas	1006.91	J/mol×K	1038.26	Joback Calculated Property
Cp,gas	1017.41	J/mol×K	1072.18	Joback Calculated Property
η	[0.0000442; 0.0005155]	Pa×s	[507.21; 868.66]
η	0.0005155	Pa×s	507.21	Joback Calculated Property
η	0.0002755	Pa×s	567.45	Joback Calculated Property
η	0.0001661	Pa×s	627.69	Joback Calculated Property
η	0.0001094	Pa×s	687.93	Joback Calculated Property
η	0.0000771	Pa×s	748.18	Joback Calculated Property
η	0.0000572	Pa×s	808.42	Joback Calculated Property
η	0.0000442	Pa×s	868.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl 2,3-dimethylphenyl ester.

Sources

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

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