Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isopropyl octyl ester

InChI

InChI=1S/C19H34O4/c1-4-5-6-7-8-11-14-22-18(20)16-12-9-10-13-17(16)19(21)23-15(2)3/h15-17H,4-14H2,1-3H3

InChI Key

HHANRNKULFOKAA-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C

Molecular Weight¹

326.47

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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°	43.09	kJ/mol	Joback Calculated Property
ΔvapH°	93.81	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) Calculated Property
logPoct/wat	4.648		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Inp	[2336.00; 2336.00]
Inp	2336.00		NIST
Inp	2336.00		NIST
Tboil	595.22	K	Relay (1.0) Calculated Property
Tfus	285.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[892.24; 991.97]	J/mol×K	[765.20; 956.89]
Cp,gas	892.24	J/mol×K	765.20	Joback Calculated Property
Cp,gas	912.15	J/mol×K	797.15	Joback Calculated Property
Cp,gas	930.72	J/mol×K	829.10	Joback Calculated Property
Cp,gas	947.97	J/mol×K	861.05	Joback Calculated Property
Cp,gas	963.92	J/mol×K	893.00	Joback Calculated Property
Cp,gas	978.58	J/mol×K	924.94	Joback Calculated Property
Cp,gas	991.97	J/mol×K	956.89	Joback Calculated Property
η	[0.0000584; 0.0025207]	Pa×s	[376.69; 765.20]
η	0.0025207	Pa×s	376.69	Joback Calculated Property
η	0.0008495	Pa×s	441.44	Joback Calculated Property
η	0.0003781	Pa×s	506.19	Joback Calculated Property
η	0.0002022	Pa×s	570.95	Joback Calculated Property
η	0.0001229	Pa×s	635.70	Joback Calculated Property
η	0.0000818	Pa×s	700.45	Joback Calculated Property
η	0.0000584	Pa×s	765.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isopropyl octyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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