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

InChI

InChI=1S/C16H27ClO4/c1-2-3-4-7-11-20-15(18)13-8-5-6-9-14(13)16(19)21-12-10-17/h13-14H,2-12H2,1H3

InChI Key

ZQWQNQKPBZBMTF-UHFFFAOYSA-N

Formula

C16H27ClO4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

318.84

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-955.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.87	kJ/mol	Joback Calculated Property
ΔvapH°	89.77	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Pc	1565.99	kPa	Joback Calculated Property
Inp	[2156.00; 2156.00]
Inp	2156.00		NIST
Inp	2156.00		NIST
Tboil	608.24	K	Relay (1.0) Calculated Property
Tc	824.50	K	Relay (1.0) Calculated Property
Tfus	294.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[762.94; 850.43]	J/mol×K	[770.37; 970.45]
Cp,gas	762.94	J/mol×K	770.37	Joback Calculated Property
Cp,gas	780.45	J/mol×K	803.72	Joback Calculated Property
Cp,gas	796.78	J/mol×K	837.06	Joback Calculated Property
Cp,gas	811.93	J/mol×K	870.41	Joback Calculated Property
Cp,gas	825.91	J/mol×K	903.76	Joback Calculated Property
Cp,gas	838.74	J/mol×K	937.11	Joback Calculated Property
Cp,gas	850.43	J/mol×K	970.45	Joback Calculated Property
η	[0.0001064; 0.0012169]	Pa×s	[447.46; 770.37]
η	0.0012169	Pa×s	447.46	Joback Calculated Property
η	0.0006519	Pa×s	501.28	Joback Calculated Property
η	0.0003941	Pa×s	555.10	Joback Calculated Property
η	0.0002605	Pa×s	608.91	Joback Calculated Property
η	0.0001841	Pa×s	662.73	Joback Calculated Property
η	0.0001371	Pa×s	716.55	Joback Calculated Property
η	0.0001064	Pa×s	770.37	Joback Calculated Property

Similar Compounds

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