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

InChI

InChI=1S/C18H31ClO4/c1-2-3-4-5-6-9-13-22-17(20)15-10-7-8-11-16(15)18(21)23-14-12-19/h15-16H,2-14H2,1H3

InChI Key

TWWCWZSTVJDFMZ-UHFFFAOYSA-N

Formula

C18H31ClO4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

346.89

• 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	-996.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.05	kJ/mol	Joback Calculated Property
ΔvapH°	96.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	4.479		Crippen Calculated Property
McVol	280.740	ml/mol	McGowan Calculated Property
Pc	1352.64	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	623.63	K	Relay (1.0) Calculated Property
Tc	842.03	K	Relay (1.0) Calculated Property
Tfus	301.61	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	[880.38; 968.18]	J/mol×K	[816.13; 1015.27]
Cp,gas	880.38	J/mol×K	816.13	Joback Calculated Property
Cp,gas	898.13	J/mol×K	849.32	Joback Calculated Property
Cp,gas	914.61	J/mol×K	882.51	Joback Calculated Property
Cp,gas	929.85	J/mol×K	915.70	Joback Calculated Property
Cp,gas	943.84	J/mol×K	948.89	Joback Calculated Property
Cp,gas	956.62	J/mol×K	982.08	Joback Calculated Property
Cp,gas	968.18	J/mol×K	1015.27	Joback Calculated Property
η	[0.0000810; 0.0010045]	Pa×s	[470.00; 816.13]
η	0.0010045	Pa×s	470.00	Joback Calculated Property
η	0.0005250	Pa×s	527.69	Joback Calculated Property
η	0.0003118	Pa×s	585.38	Joback Calculated Property
η	0.0002033	Pa×s	643.07	Joback Calculated Property
η	0.0001423	Pa×s	700.75	Joback Calculated Property
η	0.0001051	Pa×s	758.44	Joback Calculated Property
η	0.0000810	Pa×s	816.13	Joback Calculated Property

Similar Compounds

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