Chemical Properties of Terephthalic acid, 2-chloropropyl pentadecyl ester

InChI

InChI=1S/C26H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)23-16-18-24(19-17-23)26(29)31-21-22(2)27/h16-19,22H,3-15,20-21H2,1-2H3

InChI Key

ZPXCFBKQDGASQP-UHFFFAOYSA-N

Formula

C26H41ClO4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC(C)Cl)cc1

Molecular Weight¹

453.06

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	1.2385		Relay (1.0) Calculated Property
ΔfH°gas	-1013.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.16	kJ/mol	Joback Calculated Property
ΔvapH°	131.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.04		Relay (1.0) Calculated Property
logPoct/wat	7.719		Crippen Calculated Property
McVol	380.560	ml/mol	McGowan Calculated Property
Pc	856.47	kPa	Joback Calculated Property
Inp	[3298.00; 3298.00]
Inp	3298.00		NIST
Inp	3298.00		NIST
Tboil	693.57	K	Relay (1.0) Calculated Property
Tc	900.68	K	Relay (1.0) Calculated Property
Tfus	320.46	K	Relay (1.0) Calculated Property
Vc	1.428	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[1254.92; 1329.11]	J/mol×K	[979.57; 1199.54]
Cp,gas	1254.92	J/mol×K	979.57	Joback Calculated Property
Cp,gas	1271.13	J/mol×K	1016.23	Joback Calculated Property
Cp,gas	1285.73	J/mol×K	1052.89	Joback Calculated Property
Cp,gas	1298.76	J/mol×K	1089.56	Joback Calculated Property
Cp,gas	1310.30	J/mol×K	1126.22	Joback Calculated Property
Cp,gas	1320.40	J/mol×K	1162.88	Joback Calculated Property
Cp,gas	1329.11	J/mol×K	1199.54	Joback Calculated Property
η	[0.0000131; 0.0003715]	Pa×s	[521.30; 979.57]
η	0.0003715	Pa×s	521.30	Joback Calculated Property
η	0.0001489	Pa×s	597.68	Joback Calculated Property
η	0.0000734	Pa×s	674.06	Joback Calculated Property
η	0.0000418	Pa×s	750.43	Joback Calculated Property
η	0.0000264	Pa×s	826.81	Joback Calculated Property
η	0.0000180	Pa×s	903.19	Joback Calculated Property
η	0.0000131	Pa×s	979.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-chloropropyl pentadecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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