Chemical Properties of Sebacic acid, 2-(2-chlorophenoxy)ethyl pentyl ester

InChI

InChI=1S/C23H35ClO5/c1-2-3-12-17-28-22(25)15-8-6-4-5-7-9-16-23(26)29-19-18-27-21-14-11-10-13-20(21)24/h10-11,13-14H,2-9,12,15-19H2,1H3

InChI Key

XCSAISTZYZVDSA-UHFFFAOYSA-N

Formula

C23H35ClO5

SMILES

CCCCCOC(=O)CCCCCCCCC(=O)OCCOc1ccccc1Cl

Molecular Weight¹

426.97

• 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	1.1522		Relay (... Calculated Property
ΔfG°	-339.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1052.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	59.94	kJ/mol	Joback Calculated Property
ΔvapH°	121.19	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-6.17		Relay (... Calculated Property
logPoct/wat	6.116		Crippen Calculated Property
McVol	344.160	ml/mol	McGowan Calculated Property
Pc	1059.64	kPa	Joback Calculated Property
Inp	[2950.00; 2950.00]
Inp	2950.00		NIST
Inp	2950.00		NIST
Tboil	670.15	K	Relay (... Calculated Property
Tc	875.87	K	Relay (... Calculated Property
Tfus	312.16	K	Relay (... Calculated Property
Vc	1.292	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1113.61; 1181.08]	J/mol×K	[969.73; 1187.27]
Cp,gas	1113.61	J/mol×K	969.73	Joback Calculated Property
Cp,gas	1128.52	J/mol×K	1005.99	Joback Calculated Property
Cp,gas	1141.93	J/mol×K	1042.24	Joback Calculated Property
Cp,gas	1153.87	J/mol×K	1078.50	Joback Calculated Property
Cp,gas	1164.36	J/mol×K	1114.75	Joback Calculated Property
Cp,gas	1173.42	J/mol×K	1151.01	Joback Calculated Property
Cp,gas	1181.08	J/mol×K	1187.27	Joback Calculated Property
η	[0.0000223; 0.0002395]	Pa×s	[584.38; 969.73]
η	0.0002395	Pa×s	584.38	Joback Calculated Property
η	0.0001326	Pa×s	648.61	Joback Calculated Property
η	0.0000817	Pa×s	712.83	Joback Calculated Property
η	0.0000545	Pa×s	777.06	Joback Calculated Property
η	0.0000387	Pa×s	841.28	Joback Calculated Property
η	0.0000288	Pa×s	905.50	Joback Calculated Property
η	0.0000223	Pa×s	969.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2-(2-chlorophenoxy)ethyl pentyl ester.

Sources

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

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