Chemical Properties of Phthalic acid, 2-(3-chlorophenyl)ethyl nonyl ester

InChI

InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-10-17-29-24(27)22-14-8-9-15-23(22)25(28)30-18-16-20-12-11-13-21(26)19-20/h8-9,11-15,19H,2-7,10,16-18H2,1H3

InChI Key

MWGQZLUQNRMYPD-UHFFFAOYSA-N

Formula

C25H31ClO4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCc1cccc(Cl)c1

Molecular Weight¹

430.96

• 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	1.1100		Relay (1.0) Calculated Property
ΔfG°	-114.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-730.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.58	kJ/mol	Joback Calculated Property
ΔvapH°	124.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-7.55		Relay (1.0) Calculated Property
logPoct/wat	6.647		Crippen Calculated Property
McVol	342.710	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[3206.00; 3206.00]
Inp	3206.00		NIST
Inp	3206.00		NIST
Tboil	709.19	K	Relay (1.0) Calculated Property
Tc	946.86	K	Relay (1.0) Calculated Property
Tfus	280.57	K	Relay (1.0) Calculated Property
Vc	1.266	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1098.41; 1155.94]	J/mol×K	[1024.73; 1256.61]
Cp,gas	1098.41	J/mol×K	1024.73	Joback Calculated Property
Cp,gas	1111.44	J/mol×K	1063.38	Joback Calculated Property
Cp,gas	1123.01	J/mol×K	1102.02	Joback Calculated Property
Cp,gas	1133.19	J/mol×K	1140.67	Joback Calculated Property
Cp,gas	1142.03	J/mol×K	1179.31	Joback Calculated Property
Cp,gas	1149.60	J/mol×K	1217.96	Joback Calculated Property
Cp,gas	1155.94	J/mol×K	1256.61	Joback Calculated Property
η	[0.0000238; 0.0002187]	Pa×s	[623.63; 1024.73]
η	0.0002187	Pa×s	623.63	Joback Calculated Property
η	0.0001263	Pa×s	690.48	Joback Calculated Property
η	0.0000804	Pa×s	757.33	Joback Calculated Property
η	0.0000550	Pa×s	824.18	Joback Calculated Property
η	0.0000399	Pa×s	891.03	Joback Calculated Property
η	0.0000302	Pa×s	957.88	Joback Calculated Property
η	0.0000238	Pa×s	1024.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(3-chlorophenyl)ethyl nonyl ester.

Sources

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

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