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

InChI

InChI=1S/C19H32O4/c1-2-3-9-14-22-18(20)16-12-7-8-13-17(16)19(21)23-15-10-5-4-6-11-15/h15-17H,2-14H2,1H3

InChI Key

QYHWQVQDFKZJAX-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1

Molecular Weight¹

324.45

• 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	-976.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.45	kJ/mol	Joback Calculated Property
ΔvapH°	98.15	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	4.402		Crippen Calculated Property
McVol	271.730	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[2283.00; 2283.00]
Inp	2283.00		NIST
Inp	2283.00		NIST
Tboil	630.17	K	Relay (1.0) Calculated Property
Tc	861.29	K	Relay (1.0) Calculated Property
Tfus	302.40	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	[889.06; 991.41]	J/mol×K	[785.19; 996.55]
Cp,gas	889.06	J/mol×K	785.19	Joback Calculated Property
Cp,gas	910.39	J/mol×K	820.42	Joback Calculated Property
Cp,gas	929.98	J/mol×K	855.64	Joback Calculated Property
Cp,gas	947.85	J/mol×K	890.87	Joback Calculated Property
Cp,gas	964.03	J/mol×K	926.10	Joback Calculated Property
Cp,gas	978.55	J/mol×K	961.33	Joback Calculated Property
Cp,gas	991.41	J/mol×K	996.55	Joback Calculated Property
η	[0.0000658; 0.0022890]	Pa×s	[399.07; 785.19]
η	0.0022890	Pa×s	399.07	Joback Calculated Property
η	0.0008403	Pa×s	463.42	Joback Calculated Property
η	0.0003939	Pa×s	527.78	Joback Calculated Property
η	0.0002177	Pa×s	592.13	Joback Calculated Property
η	0.0001351	Pa×s	656.48	Joback Calculated Property
η	0.0000914	Pa×s	720.84	Joback Calculated Property
η	0.0000658	Pa×s	785.19	Joback Calculated Property

Similar Compounds

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