Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester

InChI

InChI=1S/C20H27ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h10-11,13,16-17H,3-9,12H2,1-2H3

InChI Key

WKQMDOFIKIRICE-UHFFFAOYSA-N

Formula

C20H27ClO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

366.88

• 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°	-252.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-713.90	kJ/mol	Joback Calculated Property
ΔfusH°	43.50	kJ/mol	Joback Calculated Property
ΔvapH°	86.53	kJ/mol	Joback Calculated Property
log10WS	-5.82		Crippen Calculated Property
logPoct/wat	5.094		Crippen Calculated Property
McVol	285.160	ml/mol	McGowan Calculated Property
Pc	1467.98	kPa	Joback Calculated Property
Inp	[2612.00; 2612.00]
Inp	2612.00		NIST
Inp	2612.00		NIST
Tboil	898.53	K	Joback Calculated Property
Tc	1122.11	K	Joback Calculated Property
Tfus	544.00	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[902.77; 973.25]	J/mol×K	[898.53; 1122.11]
Cp,gas	902.77	J/mol×K	898.53	Joback Calculated Property
Cp,gas	918.37	J/mol×K	935.79	Joback Calculated Property
Cp,gas	932.40	J/mol×K	973.06	Joback Calculated Property
Cp,gas	944.89	J/mol×K	1010.32	Joback Calculated Property
Cp,gas	955.84	J/mol×K	1047.58	Joback Calculated Property
Cp,gas	965.29	J/mol×K	1084.84	Joback Calculated Property
Cp,gas	973.25	J/mol×K	1122.11	Joback Calculated Property
η	[0.0000651; 0.0005370]	Pa×s	[544.00; 898.53]
η	0.0005370	Pa×s	544.00	Joback Calculated Property
η	0.0003180	Pa×s	603.09	Joback Calculated Property
η	0.0002068	Pa×s	662.18	Joback Calculated Property
η	0.0001443	Pa×s	721.26	Joback Calculated Property
η	0.0001063	Pa×s	780.35	Joback Calculated Property
η	0.0000818	Pa×s	839.44	Joback Calculated Property
η	0.0000651	Pa×s	898.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl 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.