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

InChI

InChI=1S/C14H23ClO4/c1-2-3-9-18-13(16)11-6-4-5-7-12(11)14(17)19-10-8-15/h11-12H,2-10H2,1H3

InChI Key

SGIWRAGFENWKHK-UHFFFAOYSA-N

Formula

C14H23ClO4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

290.79

• 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).
• 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_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	0.6989		Relay (1.0) Calculated Property
ΔfH°gas	-915.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.69	kJ/mol	Joback Calculated Property
ΔvapH°	83.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	2.918		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1834.11	kPa	Joback Calculated Property
Inp	[1957.00; 1957.00]
Inp	1957.00		NIST
Inp	1957.00		NIST
Tboil	590.08	K	Relay (1.0) Calculated Property
Tc	804.10	K	Relay (1.0) Calculated Property
Tfus	283.46	K	Relay (1.0) Calculated Property
Vc	0.794	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.19; 735.49]	J/mol×K	[724.61; 927.88]
Cp,gas	649.19	J/mol×K	724.61	Joback Calculated Property
Cp,gas	666.33	J/mol×K	758.49	Joback Calculated Property
Cp,gas	682.36	J/mol×K	792.37	Joback Calculated Property
Cp,gas	697.29	J/mol×K	826.24	Joback Calculated Property
Cp,gas	711.12	J/mol×K	860.12	Joback Calculated Property
Cp,gas	723.85	J/mol×K	894.00	Joback Calculated Property
Cp,gas	735.49	J/mol×K	927.88	Joback Calculated Property
η	[0.0001379; 0.0014440]	Pa×s	[424.92; 724.61]
η	0.0014440	Pa×s	424.92	Joback Calculated Property
η	0.0007946	Pa×s	474.87	Joback Calculated Property
η	0.0004899	Pa×s	524.82	Joback Calculated Property
η	0.0003285	Pa×s	574.76	Joback Calculated Property
η	0.0002348	Pa×s	624.71	Joback Calculated Property
η	0.0001764	Pa×s	674.66	Joback Calculated Property
η	0.0001379	Pa×s	724.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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