Chemical Properties of Terephthalic acid, 4-chloro-2-methylbenzyl hexyl ester

InChI

InChI=1S/C22H25ClO4/c1-3-4-5-6-13-26-21(24)17-7-9-18(10-8-17)22(25)27-15-19-11-12-20(23)14-16(19)2/h7-12,14H,3-6,13,15H2,1-2H3

InChI Key

KFPBWZGRLHLOJI-UHFFFAOYSA-N

Formula

C22H25ClO4

SMILES

CCCCCCOC(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2C)cc1

Molecular Weight¹

388.89

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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	0.9893		Relay (1.0) Calculated Property
ΔfusH°	52.59	kJ/mol	Joback Calculated Property
log10WS	-6.64		Relay (1.0) Calculated Property
logPoct/wat	5.743		Crippen Calculated Property
McVol	300.440	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[3178.00; 3178.00]
Inp	3178.00		NIST
Inp	3178.00		NIST
Tboil	686.67	K	Relay (1.0) Calculated Property
Tc	931.75	K	Relay (1.0) Calculated Property
Tfus	311.45	K	Relay (1.0) Calculated Property
Vc	1.100	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.16; 964.86]	J/mol×K	[925.13; 1148.21]
Cp,gas	908.16	J/mol×K	925.13	Joback Calculated Property
Cp,gas	921.04	J/mol×K	962.31	Joback Calculated Property
Cp,gas	932.50	J/mol×K	999.49	Joback Calculated Property
Cp,gas	942.57	J/mol×K	1036.67	Joback Calculated Property
Cp,gas	951.30	J/mol×K	1073.85	Joback Calculated Property
Cp,gas	958.72	J/mol×K	1111.03	Joback Calculated Property
Cp,gas	964.86	J/mol×K	1148.21	Joback Calculated Property
η	[0.0000286; 0.0003389]	Pa×s	[542.68; 925.13]
η	0.0003389	Pa×s	542.68	Joback Calculated Property
η	0.0001808	Pa×s	606.42	Joback Calculated Property
η	0.0001086	Pa×s	670.16	Joback Calculated Property
η	0.0000713	Pa×s	733.90	Joback Calculated Property
η	0.0000501	Pa×s	797.65	Joback Calculated Property
η	0.0000371	Pa×s	861.39	Joback Calculated Property
η	0.0000286	Pa×s	925.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4-chloro-2-methylbenzyl hexyl ester.

Sources

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

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