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

InChI

InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-28-23(26)21-16-13-14-17-22(21)24(27)29-20-18-25/h21-22H,2-20H2,1H3

InChI Key

IORCAXGUDIKWPG-UHFFFAOYSA-N

Formula

C24H43ClO4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

431.06

• 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	-1115.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.76	kJ/mol	Joback Calculated Property
ΔvapH°	121.32	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	6.819		Crippen Calculated Property
McVol	365.280	ml/mol	McGowan Calculated Property
Pc	876.88	kPa	Joback Calculated Property
Inp	[2996.00; 2996.00]
Inp	2996.00		NIST
Inp	2996.00		NIST
Tboil	663.94	K	Relay (1.0) Calculated Property
Tc	889.23	K	Relay (1.0) Calculated Property
Tfus	315.81	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	[1231.73; 1319.27]	J/mol×K	[917.47; 1123.50]
Cp,gas	1231.73	J/mol×K	917.47	Joback Calculated Property
Cp,gas	1250.38	J/mol×K	951.81	Joback Calculated Property
Cp,gas	1267.35	J/mol×K	986.15	Joback Calculated Property
Cp,gas	1282.69	J/mol×K	1020.49	Joback Calculated Property
Cp,gas	1296.43	J/mol×K	1054.83	Joback Calculated Property
Cp,gas	1308.61	J/mol×K	1089.16	Joback Calculated Property
Cp,gas	1319.27	J/mol×K	1123.50	Joback Calculated Property
η	[0.0000256; 0.0007715]	Pa×s	[477.96; 917.47]
η	0.0007715	Pa×s	477.96	Joback Calculated Property
η	0.0003000	Pa×s	551.21	Joback Calculated Property
η	0.0001456	Pa×s	624.46	Joback Calculated Property
η	0.0000822	Pa×s	697.71	Joback Calculated Property
η	0.0000518	Pa×s	770.97	Joback Calculated Property
η	0.0000353	Pa×s	844.22	Joback Calculated Property
η	0.0000256	Pa×s	917.47	Joback Calculated Property

Similar Compounds

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