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

InChI

InChI=1S/C20H36O4/c1-3-5-7-8-12-16-24-20(22)18-14-10-9-13-17(18)19(21)23-15-11-6-4-2/h17-18H,3-16H2,1-2H3

InChI Key

QDFABZWRLYBOFO-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCC

Molecular Weight¹

340.50

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8855		Relay (1.0) Calculated Property
ΔfH°gas	-1009.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.04	kJ/mol	Joback Calculated Property
ΔvapH°	97.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	5.040		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1210.67	kPa	Joback Calculated Property
Inp	[2323.00; 2323.00]
Inp	2323.00		NIST
Inp	2323.00		NIST
Tboil	618.31	K	Relay (1.0) Calculated Property
Tc	828.00	K	Relay (1.0) Calculated Property
Tfus	288.75	K	Relay (1.0) Calculated Property
Vc	1.098	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.51; 1065.56]	J/mol×K	[824.46; 1019.78]
Cp,gas	969.51	J/mol×K	824.46	Joback Calculated Property
Cp,gas	988.77	J/mol×K	857.01	Joback Calculated Property
Cp,gas	1006.70	J/mol×K	889.57	Joback Calculated Property
Cp,gas	1023.33	J/mol×K	922.12	Joback Calculated Property
Cp,gas	1038.67	J/mol×K	954.67	Joback Calculated Property
Cp,gas	1052.74	J/mol×K	987.22	Joback Calculated Property
Cp,gas	1065.56	J/mol×K	1019.78	Joback Calculated Property
η	[0.0000707; 0.0010134]	Pa×s	[462.62; 824.46]
η	0.0010134	Pa×s	462.62	Joback Calculated Property
η	0.0005034	Pa×s	522.93	Joback Calculated Property
η	0.0002890	Pa×s	583.23	Joback Calculated Property
η	0.0001841	Pa×s	643.54	Joback Calculated Property
η	0.0001267	Pa×s	703.85	Joback Calculated Property
η	0.0000925	Pa×s	764.15	Joback Calculated Property
η	0.0000707	Pa×s	824.46	Joback Calculated Property

Similar Compounds

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