Chemical Properties of Glutaric acid, 4-chloro-3-methylphenyl pentadecyl ester

InChI

InChI=1S/C27H43ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-26(29)17-16-18-27(30)32-24-19-20-25(28)23(2)22-24/h19-20,22H,3-18,21H2,1-2H3

InChI Key

LJYSIVSUIMQSBQ-UHFFFAOYSA-N

Formula

C27H43ClO4

SMILES

CCCCCCCCCCCCCCCOC(=O)CCCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

467.08

• 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	1.2601		Relay (1.0) Calculated Property
ΔfG°	-210.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1035.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.72	kJ/mol	Joback Calculated Property
ΔvapH°	131.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	8.359		Crippen Calculated Property
McVol	394.650	ml/mol	McGowan Calculated Property
Pc	838.21	kPa	Joback Calculated Property
Inp	[3479.00; 3479.00]
Inp	3479.00		NIST
Inp	3479.00		NIST
Tboil	697.73	K	Relay (1.0) Calculated Property
Tc	904.97	K	Relay (1.0) Calculated Property
Tfus	329.34	K	Relay (1.0) Calculated Property
Vc	1.487	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1331.33; 1405.30]	J/mol×K	[1043.81; 1282.60]
Cp,gas	1331.33	J/mol×K	1043.81	Joback Calculated Property
Cp,gas	1347.88	J/mol×K	1083.61	Joback Calculated Property
Cp,gas	1362.66	J/mol×K	1123.41	Joback Calculated Property
Cp,gas	1375.73	J/mol×K	1163.20	Joback Calculated Property
Cp,gas	1387.15	J/mol×K	1203.00	Joback Calculated Property
Cp,gas	1396.99	J/mol×K	1242.80	Joback Calculated Property
Cp,gas	1405.30	J/mol×K	1282.60	Joback Calculated Property
η	[0.0000168; 0.0001886]	Pa×s	[619.75; 1043.81]
η	0.0001886	Pa×s	619.75	Joback Calculated Property
η	0.0001025	Pa×s	690.43	Joback Calculated Property
η	0.0000624	Pa×s	761.10	Joback Calculated Property
η	0.0000413	Pa×s	831.78	Joback Calculated Property
η	0.0000292	Pa×s	902.46	Joback Calculated Property
η	0.0000217	Pa×s	973.13	Joback Calculated Property
η	0.0000168	Pa×s	1043.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chloro-3-methylphenyl pentadecyl ester.

Sources

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

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