Chemical Properties of Glutaric acid, 2-chloro-5-methylphenyl hexyl ester

InChI

InChI=1S/C18H25ClO4/c1-3-4-5-6-12-22-17(20)8-7-9-18(21)23-16-13-14(2)10-11-15(16)19/h10-11,13H,3-9,12H2,1-2H3

InChI Key

RKRSPJYKZCDOMB-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

340.84

• 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	0.9293		Relay (... Calculated Property
ΔfG°	-285.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-837.25	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.41	kJ/mol	Joback Calculated Property
ΔvapH°	98.19	kJ/mol	Relay (... Calculated Property
IE	8.20	eV	Relay (... Calculated Property
log10WS	-5.17		Relay (... Calculated Property
logPoct/wat	4.848		Crippen Calculated Property
McVol	267.840	ml/mol	McGowan Calculated Property
Pc	1490.74	kPa	Joback Calculated Property
Inp	[2478.00; 2478.00]
Inp	2478.00		NIST
Inp	2478.00		NIST
Tboil	628.46	K	Relay (... Calculated Property
Tc	839.96	K	Relay (... Calculated Property
Tfus	305.07	K	Relay (... Calculated Property
Vc	0.995	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[787.46; 858.45]	J/mol×K	[837.89; 1042.84]
Cp,gas	787.46	J/mol×K	837.89	Joback Calculated Property
Cp,gas	801.91	J/mol×K	872.05	Joback Calculated Property
Cp,gas	815.29	J/mol×K	906.21	Joback Calculated Property
Cp,gas	827.62	J/mol×K	940.37	Joback Calculated Property
Cp,gas	838.91	J/mol×K	974.53	Joback Calculated Property
Cp,gas	849.18	J/mol×K	1008.69	Joback Calculated Property
Cp,gas	858.45	J/mol×K	1042.84	Joback Calculated Property
η	[0.0000636; 0.0005160]	Pa×s	[518.32; 837.89]
η	0.0005160	Pa×s	518.32	Joback Calculated Property
η	0.0003094	Pa×s	571.58	Joback Calculated Property
η	0.0002025	Pa×s	624.84	Joback Calculated Property
η	0.0001416	Pa×s	678.10	Joback Calculated Property
η	0.0001043	Pa×s	731.37	Joback Calculated Property
η	0.0000801	Pa×s	784.63	Joback Calculated Property
η	0.0000636	Pa×s	837.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-5-methylphenyl hexyl ester.

Sources

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

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