Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl hexyl ester

InChI

InChI=1S/C20H26Cl2O4/c1-2-3-4-7-12-25-19(23)15-8-5-6-9-16(15)20(24)26-18-13-14(21)10-11-17(18)22/h10-11,13,15-16H,2-9,12H2,1H3

InChI Key

QSNSOJBPJBXNTE-UHFFFAOYSA-N

Formula

C20H26Cl2O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

401.32

• 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).
• 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
ΔfG°	-264.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-729.64	kJ/mol	Joback Calculated Property
ΔfusH°	47.69	kJ/mol	Joback Calculated Property
ΔvapH°	90.92	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	5.829		Crippen Calculated Property
McVol	297.400	ml/mol	McGowan Calculated Property
Pc	1427.22	kPa	Joback Calculated Property
Inp	[2727.00; 2727.00]
Inp	2727.00		NIST
Inp	2727.00		NIST
Tboil	935.96	K	Joback Calculated Property
Tc	1163.56	K	Joback Calculated Property
Tfus	573.92	K	Joback Calculated Property
Vc	1.125	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[927.19; 987.71]	J/mol×K	[935.96; 1163.56]
Cp,gas	927.19	J/mol×K	935.96	Joback Calculated Property
Cp,gas	941.16	J/mol×K	973.89	Joback Calculated Property
Cp,gas	953.55	J/mol×K	1011.83	Joback Calculated Property
Cp,gas	964.37	J/mol×K	1049.76	Joback Calculated Property
Cp,gas	973.66	J/mol×K	1087.69	Joback Calculated Property
Cp,gas	981.43	J/mol×K	1125.62	Joback Calculated Property
Cp,gas	987.71	J/mol×K	1163.56	Joback Calculated Property
η	[0.0000560; 0.0004465]	Pa×s	[573.92; 935.96]
η	0.0004465	Pa×s	573.92	Joback Calculated Property
η	0.0002680	Pa×s	634.26	Joback Calculated Property
η	0.0001757	Pa×s	694.60	Joback Calculated Property
η	0.0001233	Pa×s	754.94	Joback Calculated Property
η	0.0000912	Pa×s	815.28	Joback Calculated Property
η	0.0000703	Pa×s	875.62	Joback Calculated Property
η	0.0000560	Pa×s	935.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl hexyl ester.

Sources

• 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.