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

InChI

InChI=1S/C15H25ClO4/c1-2-3-6-10-19-14(17)12-7-4-5-8-13(12)15(18)20-11-9-16/h12-13H,2-11H2,1H3

InChI Key

MYDXJQWVAFPPRE-UHFFFAOYSA-N

Formula

C15H25ClO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

304.81

• 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	-934.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.28	kJ/mol	Joback Calculated Property
ΔvapH°	86.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	3.308		Crippen Calculated Property
McVol	238.470	ml/mol	McGowan Calculated Property
Pc	1692.12	kPa	Joback Calculated Property
Inp	[2063.00; 2063.00]
Inp	2063.00		NIST
Inp	2063.00		NIST
Tboil	599.33	K	Relay (1.0) Calculated Property
Tc	814.91	K	Relay (1.0) Calculated Property
Tfus	291.50	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	[705.56; 792.59]	J/mol×K	[747.49; 948.91]
Cp,gas	705.56	J/mol×K	747.49	Joback Calculated Property
Cp,gas	722.91	J/mol×K	781.06	Joback Calculated Property
Cp,gas	739.11	J/mol×K	814.63	Joback Calculated Property
Cp,gas	754.17	J/mol×K	848.20	Joback Calculated Property
Cp,gas	768.10	J/mol×K	881.77	Joback Calculated Property
Cp,gas	780.90	J/mol×K	915.34	Joback Calculated Property
Cp,gas	792.59	J/mol×K	948.91	Joback Calculated Property
η	[0.0001213; 0.0013293]	Pa×s	[436.19; 747.49]
η	0.0013293	Pa×s	436.19	Joback Calculated Property
η	0.0007215	Pa×s	488.07	Joback Calculated Property
η	0.0004404	Pa×s	539.96	Joback Calculated Property
η	0.0002931	Pa×s	591.84	Joback Calculated Property
η	0.0002083	Pa×s	643.72	Joback Calculated Property
η	0.0001558	Pa×s	695.61	Joback Calculated Property
η	0.0001213	Pa×s	747.49	Joback Calculated Property

Similar Compounds

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