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

InChI

InChI=1S/C17H30O4/c1-3-5-6-9-13-21-17(19)15-11-8-7-10-14(15)16(18)20-12-4-2/h14-15H,3-13H2,1-2H3

InChI Key

BCPFJZXBQIQYNY-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OCCC

Molecular Weight¹

298.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfusH°	41.43	kJ/mol	Joback Calculated Property
ΔvapH°	87.00	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Pc	1404.84	kPa	Joback Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		NIST
Tboil	596.29	K	Relay (1.0) Calculated Property
Tc	802.17	K	Relay (1.0) Calculated Property
Tfus	273.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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	[773.49; 872.43]	J/mol×K	[719.88; 910.37]
Cp,gas	773.49	J/mol×K	719.88	Joback Calculated Property
Cp,gas	793.00	J/mol×K	751.63	Joback Calculated Property
Cp,gas	811.28	J/mol×K	783.38	Joback Calculated Property
Cp,gas	828.36	J/mol×K	815.12	Joback Calculated Property
Cp,gas	844.23	J/mol×K	846.87	Joback Calculated Property
Cp,gas	858.92	J/mol×K	878.62	Joback Calculated Property
Cp,gas	872.43	J/mol×K	910.37	Joback Calculated Property
η	[0.0000835; 0.0024733]	Pa×s	[369.15; 719.88]
η	0.0024733	Pa×s	369.15	Joback Calculated Property
η	0.0009559	Pa×s	427.60	Joback Calculated Property
η	0.0004643	Pa×s	486.06	Joback Calculated Property
η	0.0002634	Pa×s	544.51	Joback Calculated Property
η	0.0001668	Pa×s	602.97	Joback Calculated Property
η	0.0001145	Pa×s	661.42	Joback Calculated Property
η	0.0000835	Pa×s	719.88	Joback Calculated Property

Similar Compounds

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