Chemical Properties of Isophthalic acid, 2-chloro-5-methylphenyl heptyl ester

InChI

InChI=1S/C22H25ClO4/c1-3-4-5-6-7-13-26-21(24)17-9-8-10-18(15-17)22(25)27-20-14-16(2)11-12-19(20)23/h8-12,14-15H,3-7,13H2,1-2H3

InChI Key

AFOLSICZMGJBHO-UHFFFAOYSA-N

Formula

C22H25ClO4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc(C)ccc2Cl)c1

Molecular Weight¹

388.88

• 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	1.0188		Relay (1.0) Calculated Property
ΔfusH°	52.59	kJ/mol	Joback Calculated Property
log10WS	-6.87		Relay (1.0) Calculated Property
logPoct/wat	5.995		Crippen Calculated Property
McVol	300.440	ml/mol	McGowan Calculated Property
Pc	1331.98	kPa	Joback Calculated Property
Inp	[2951.00; 2951.00]
Inp	2951.00		NIST
Inp	2951.00		NIST
Tboil	676.27	K	Relay (1.0) Calculated Property
Tc	938.90	K	Relay (1.0) Calculated Property
Tfus	314.15	K	Relay (1.0) Calculated Property
Vc	1.107	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 Isophthalic acid, 2-chloro-5-methylphenyl heptyl 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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