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

InChI

InChI=1S/C19H25ClO4/c1-2-3-8-13-23-18(21)14-9-4-5-10-15(14)19(22)24-17-12-7-6-11-16(17)20/h6-7,11-12,14-15H,2-5,8-10,13H2,1H3

InChI Key

KPLPMJGMUYNOAR-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1Cl

Molecular Weight¹

352.85

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.29	kJ/mol	Joback Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.785		Crippen Calculated Property
McVol	271.070	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2493.00; 2493.00]
Inp	2493.00		NIST
Inp	2493.00		NIST
Tboil	635.21	K	Relay (1.0) Calculated Property
Tfus	322.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[844.76; 917.20]	J/mol×K	[870.67; 1094.87]
Cp,gas	844.76	J/mol×K	870.67	Joback Calculated Property
Cp,gas	860.57	J/mol×K	908.04	Joback Calculated Property
Cp,gas	874.86	J/mol×K	945.40	Joback Calculated Property
Cp,gas	887.64	J/mol×K	982.77	Joback Calculated Property
Cp,gas	898.94	J/mol×K	1020.14	Joback Calculated Property
Cp,gas	908.79	J/mol×K	1057.50	Joback Calculated Property
Cp,gas	917.20	J/mol×K	1094.87	Joback Calculated Property
η	[0.0000734; 0.0006746]	Pa×s	[520.21; 870.67]
η	0.0006746	Pa×s	520.21	Joback Calculated Property
η	0.0003868	Pa×s	578.62	Joback Calculated Property
η	0.0002456	Pa×s	637.03	Joback Calculated Property
η	0.0001683	Pa×s	695.44	Joback Calculated Property
η	0.0001223	Pa×s	753.85	Joback Calculated Property
η	0.0000930	Pa×s	812.26	Joback Calculated Property
η	0.0000734	Pa×s	870.67	Joback Calculated Property

Similar Compounds

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