Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2-chlorophenyl ester

InChI

InChI=1S/C18H23ClO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3

InChI Key

JDXKIHODWWBARN-UHFFFAOYSA-N

Formula

C18H23ClO4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1Cl

Molecular Weight¹

338.83

• 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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-766.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.70	kJ/mol	Joback Calculated Property
ΔvapH°	99.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.395		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
Inp	[2392.00; 2392.00]
Inp	2392.00		NIST
Inp	2392.00		NIST
Tboil	627.50	K	Relay (1.0) Calculated Property
Tfus	317.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[786.53; 859.58]	J/mol×K	[847.79; 1074.08]
Cp,gas	786.53	J/mol×K	847.79	Joback Calculated Property
Cp,gas	802.40	J/mol×K	885.51	Joback Calculated Property
Cp,gas	816.77	J/mol×K	923.22	Joback Calculated Property
Cp,gas	829.65	J/mol×K	960.94	Joback Calculated Property
Cp,gas	841.06	J/mol×K	998.65	Joback Calculated Property
Cp,gas	851.03	J/mol×K	1036.37	Joback Calculated Property
Cp,gas	859.58	J/mol×K	1074.08	Joback Calculated Property
η	[0.0000842; 0.0007421]	Pa×s	[508.94; 847.79]
η	0.0007421	Pa×s	508.94	Joback Calculated Property
η	0.0004307	Pa×s	565.41	Joback Calculated Property
η	0.0002760	Pa×s	621.89	Joback Calculated Property
η	0.0001904	Pa×s	678.37	Joback Calculated Property
η	0.0001391	Pa×s	734.84	Joback Calculated Property
η	0.0001063	Pa×s	791.32	Joback Calculated Property
η	0.0000842	Pa×s	847.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-chlorophenyl 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.