Chemical Properties of Glutaric acid, pentyl 2-tert-butyl-6-methylphenyl ester

InChI

InChI=1S/C21H32O4/c1-6-7-8-15-24-18(22)13-10-14-19(23)25-20-16(2)11-9-12-17(20)21(3,4)5/h9,11-12H,6-8,10,13-15H2,1-5H3

InChI Key

SNKQWHRQIQQXLP-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCCOC(=O)CCCC(=O)Oc1c(C)cccc1C(C)(C)C

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	0.9259		Relay (1.0) Calculated Property
ΔfG°	-245.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-867.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.57	kJ/mol	Joback Calculated Property
ΔvapH°	95.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	5.102		Crippen Calculated Property
McVol	297.870	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Inp	[2454.00; 2454.00]
Inp	2454.00		NIST
Inp	2454.00		NIST
Tboil	629.91	K	Relay (1.0) Calculated Property
Tc	836.39	K	Relay (1.0) Calculated Property
Tfus	285.05	K	Relay (1.0) Calculated Property
Vc	1.105	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[937.29; 1018.60]	J/mol×K	[865.87; 1072.14]
Cp,gas	937.29	J/mol×K	865.87	Joback Calculated Property
Cp,gas	953.67	J/mol×K	900.25	Joback Calculated Property
Cp,gas	968.86	J/mol×K	934.63	Joback Calculated Property
Cp,gas	982.91	J/mol×K	969.00	Joback Calculated Property
Cp,gas	995.86	J/mol×K	1003.38	Joback Calculated Property
Cp,gas	1007.75	J/mol×K	1037.76	Joback Calculated Property
Cp,gas	1018.60	J/mol×K	1072.14	Joback Calculated Property
η	[0.0000379; 0.0004181]	Pa×s	[524.63; 865.87]
η	0.0004181	Pa×s	524.63	Joback Calculated Property
η	0.0002304	Pa×s	581.50	Joback Calculated Property
η	0.0001412	Pa×s	638.38	Joback Calculated Property
η	0.0000938	Pa×s	695.25	Joback Calculated Property
η	0.0000662	Pa×s	752.12	Joback Calculated Property
η	0.0000491	Pa×s	809.00	Joback Calculated Property
η	0.0000379	Pa×s	865.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentyl 2-tert-butyl-6-methylphenyl ester.

Sources

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

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