Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl pentadecyl ester

InChI

InChI=1S/C25H45ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-29-24(27)22-17-14-15-18-23(22)25(28)30-21-19-26/h22-23H,2-21H2,1H3

InChI Key

IVIGWIZYOYEFDM-UHFFFAOYSA-N

Formula

C25H45ClO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

445.07

• 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	-1135.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.18	kJ/mol	Joback Calculated Property
ΔvapH°	123.81	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	7.209		Crippen Calculated Property
McVol	379.370	ml/mol	McGowan Calculated Property
Pc	869.65	kPa	Joback Calculated Property
Inp	[3118.00; 3118.00]
Inp	3118.00		NIST
Inp	3118.00		NIST
Tboil	670.45	K	Relay (1.0) Calculated Property
Tc	892.99	K	Relay (1.0) Calculated Property
Tfus	324.18	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	[1311.90; 1397.30]	J/mol×K	[976.29; 1195.75]
Cp,gas	1311.90	J/mol×K	976.29	Joback Calculated Property
Cp,gas	1330.47	J/mol×K	1012.87	Joback Calculated Property
Cp,gas	1347.25	J/mol×K	1049.44	Joback Calculated Property
Cp,gas	1362.28	J/mol×K	1086.02	Joback Calculated Property
Cp,gas	1375.60	J/mol×K	1122.60	Joback Calculated Property
Cp,gas	1387.26	J/mol×K	1159.18	Joback Calculated Property
Cp,gas	1397.30	J/mol×K	1195.75	Joback Calculated Property
η	[0.0000289; 0.0004531]	Pa×s	[548.89; 976.29]
η	0.0004531	Pa×s	548.89	Joback Calculated Property
η	0.0002202	Pa×s	620.12	Joback Calculated Property
η	0.0001241	Pa×s	691.36	Joback Calculated Property
η	0.0000779	Pa×s	762.59	Joback Calculated Property
η	0.0000529	Pa×s	833.82	Joback Calculated Property
η	0.0000382	Pa×s	905.06	Joback Calculated Property
η	0.0000289	Pa×s	976.29	Joback Calculated Property

Similar Compounds

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