Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, diisopropyl ester

InChI

InChI=1S/C14H24O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h9-12H,5-8H2,1-4H3

InChI Key

HFVJRYILMUSLFV-UHFFFAOYSA-N

Formula

C14H24O4

SMILES

CC(C)OC(=O)C1CCCCC1C(=O)OC(C)C

Molecular Weight¹

256.34

• 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).
• IE : Ionization energy (eV).
• 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	-927.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.45	kJ/mol	Joback Calculated Property
ΔvapH°	75.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-3.33		Relay (1.0) Calculated Property
logPoct/wat	2.696		Crippen Calculated Property
McVol	212.140	ml/mol	McGowan Calculated Property
Pc	1920.30	kPa	Joback Calculated Property
Inp	[1776.00; 1776.00]
Inp	1776.00		NIST
Inp	1776.00		NIST
Tboil	520.51	K	Relay (1.0) Calculated Property
Tc	743.92	K	Relay (1.0) Calculated Property
Tfus	306.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[619.04; 715.72]	J/mol×K	[686.30; 892.79]
Cp,gas	619.04	J/mol×K	686.30	Joback Calculated Property
Cp,gas	638.07	J/mol×K	720.72	Joback Calculated Property
Cp,gas	655.92	J/mol×K	755.13	Joback Calculated Property
Cp,gas	672.62	J/mol×K	789.55	Joback Calculated Property
Cp,gas	688.14	J/mol×K	823.96	Joback Calculated Property
Cp,gas	702.51	J/mol×K	858.38	Joback Calculated Property
Cp,gas	715.72	J/mol×K	892.79	Joback Calculated Property
η	[0.0001307; 0.0025535]	Pa×s	[365.00; 686.30]
η	0.0025535	Pa×s	365.00	Joback Calculated Property
η	0.0011333	Pa×s	418.55	Joback Calculated Property
η	0.0006048	Pa×s	472.10	Joback Calculated Property
η	0.0003668	Pa×s	525.65	Joback Calculated Property
η	0.0002440	Pa×s	579.20	Joback Calculated Property
η	0.0001739	Pa×s	632.75	Joback Calculated Property
η	0.0001307	Pa×s	686.30	Joback Calculated Property

Similar Compounds

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