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

InChI

InChI=1S/C20H34O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h16-18H,2-15H2,1H3

InChI Key

WDTGTPBLLDQGHP-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

338.48

• 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	-1001.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.03	kJ/mol	Joback Calculated Property
ΔvapH°	98.66	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	4.650		Crippen Calculated Property
McVol	285.820	ml/mol	McGowan Calculated Property
Pc	1321.35	kPa	Joback Calculated Property
Inp	[2399.00; 2399.00]
Inp	2399.00		NIST
Inp	2399.00		NIST
Tboil	649.63	K	Relay (1.0) Calculated Property
Tc	868.56	K	Relay (1.0) Calculated Property
Tfus	292.04	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	[949.73; 1050.35]	J/mol×K	[808.07; 1017.75]
Cp,gas	949.73	J/mol×K	808.07	Joback Calculated Property
Cp,gas	970.80	J/mol×K	843.02	Joback Calculated Property
Cp,gas	990.12	J/mol×K	877.96	Joback Calculated Property
Cp,gas	1007.71	J/mol×K	912.91	Joback Calculated Property
Cp,gas	1023.59	J/mol×K	947.86	Joback Calculated Property
Cp,gas	1037.79	J/mol×K	982.81	Joback Calculated Property
Cp,gas	1050.35	J/mol×K	1017.75	Joback Calculated Property
η	[0.0000570; 0.0020192]	Pa×s	[410.34; 808.07]
η	0.0020192	Pa×s	410.34	Joback Calculated Property
η	0.0007369	Pa×s	476.63	Joback Calculated Property
η	0.0003440	Pa×s	542.92	Joback Calculated Property
η	0.0001896	Pa×s	609.20	Joback Calculated Property
η	0.0001174	Pa×s	675.49	Joback Calculated Property
η	0.0000792	Pa×s	741.78	Joback Calculated Property
η	0.0000570	Pa×s	808.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl 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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