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

InChI

InChI=1S/C17H29ClO4/c1-2-3-4-5-8-12-21-16(19)14-9-6-7-10-15(14)17(20)22-13-11-18/h14-15H,2-13H2,1H3

InChI Key

ZCFISICVYITKBS-UHFFFAOYSA-N

Formula

C17H29ClO4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

332.86

• 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	-976.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.63	kJ/mol	Joback Calculated Property
ΔvapH°	94.25	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	4.088		Crippen Calculated Property
McVol	266.650	ml/mol	McGowan Calculated Property
Pc	1366.68	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	616.48	K	Relay (1.0) Calculated Property
Tc	836.25	K	Relay (1.0) Calculated Property
Tfus	293.27	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	[806.59; 897.02]	J/mol×K	[757.31; 952.04]
Cp,gas	806.59	J/mol×K	757.31	Joback Calculated Property
Cp,gas	824.77	J/mol×K	789.76	Joback Calculated Property
Cp,gas	841.69	J/mol×K	822.22	Joback Calculated Property
Cp,gas	857.36	J/mol×K	854.67	Joback Calculated Property
Cp,gas	871.79	J/mol×K	887.13	Joback Calculated Property
Cp,gas	885.01	J/mol×K	919.58	Joback Calculated Property
Cp,gas	897.02	J/mol×K	952.04	Joback Calculated Property
η	[0.0000730; 0.0018752]	Pa×s	[399.07; 757.31]
η	0.0018752	Pa×s	399.07	Joback Calculated Property
η	0.0007677	Pa×s	458.78	Joback Calculated Property
η	0.0003861	Pa×s	518.48	Joback Calculated Property
η	0.0002238	Pa×s	578.19	Joback Calculated Property
η	0.0001436	Pa×s	637.90	Joback Calculated Property
η	0.0000995	Pa×s	697.60	Joback Calculated Property
η	0.0000730	Pa×s	757.31	Joback Calculated Property

Similar Compounds

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