Chemical Properties of Sebacic acid, 2-chloro-5-methylphenyl nonyl ester

InChI

InChI=1S/C26H41ClO4/c1-3-4-5-6-9-12-15-20-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-21-22(2)18-19-23(24)27/h18-19,21H,3-17,20H2,1-2H3

InChI Key

YIBNDTHQSOWIHE-UHFFFAOYSA-N

Formula

C26H41ClO4

SMILES

CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

453.05

• 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	1.2238		Relay (... Calculated Property
ΔfG°	-218.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1006.50	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.13	kJ/mol	Joback Calculated Property
ΔvapH°	126.93	kJ/mol	Relay (... Calculated Property
IE	8.32	eV	Relay (... Calculated Property
log10WS	-7.49		Relay (... Calculated Property
logPoct/wat	7.968		Crippen Calculated Property
McVol	380.560	ml/mol	McGowan Calculated Property
Pc	886.83	kPa	Joback Calculated Property
Inp	[3290.00; 3290.00]
Inp	3290.00		NIST
Inp	3290.00		NIST
Tboil	680.00	K	Relay (... Calculated Property
Tc	895.67	K	Relay (... Calculated Property
Tfus	327.37	K	Relay (... Calculated Property
Vc	1.435	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1268.95; 1342.90]	J/mol×K	[1020.93; 1251.86]
Cp,gas	1268.95	J/mol×K	1020.93	Joback Calculated Property
Cp,gas	1285.21	J/mol×K	1059.42	Joback Calculated Property
Cp,gas	1299.83	J/mol×K	1097.91	Joback Calculated Property
Cp,gas	1312.85	J/mol×K	1136.39	Joback Calculated Property
Cp,gas	1324.34	J/mol×K	1174.88	Joback Calculated Property
Cp,gas	1334.34	J/mol×K	1213.37	Joback Calculated Property
Cp,gas	1342.90	J/mol×K	1251.86	Joback Calculated Property
η	[0.0000196; 0.0002135]	Pa×s	[608.48; 1020.93]
η	0.0002135	Pa×s	608.48	Joback Calculated Property
η	0.0001172	Pa×s	677.22	Joback Calculated Property
η	0.0000718	Pa×s	745.96	Joback Calculated Property
η	0.0000478	Pa×s	814.71	Joback Calculated Property
η	0.0000339	Pa×s	883.45	Joback Calculated Property
η	0.0000253	Pa×s	952.19	Joback Calculated Property
η	0.0000196	Pa×s	1020.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-chloro-5-methylphenyl nonyl ester.

Sources

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

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