Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl octyl ester

InChI

InChI=1S/C23H39ClO4/c1-2-3-4-5-6-11-16-27-22(25)19-13-8-9-14-20(19)23(26)28-17-18-12-7-10-15-21(18)24/h18-21H,2-17H2,1H3

InChI Key

BPQIESLONFQBEA-UHFFFAOYSA-N

Formula

C23H39ClO4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

415.01

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.8779		Relay (1.0) Calculated Property
ΔfG°	-303.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1092.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.91	kJ/mol	Joback Calculated Property
ΔvapH°	115.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	6.037		Crippen Calculated Property
McVol	340.330	ml/mol	McGowan Calculated Property
Pc	1091.38	kPa	Joback Calculated Property
Inp	[2908.00; 2908.00]
Inp	2908.00		NIST
Inp	2908.00		NIST
Tboil	686.98	K	Relay (1.0) Calculated Property
Tc	918.46	K	Relay (1.0) Calculated Property
Tfus	332.12	K	Relay (1.0) Calculated Property
Vc	1.236	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1186.24; 1266.82]	J/mol×K	[945.41; 1164.10]
Cp,gas	1186.24	J/mol×K	945.41	Joback Calculated Property
Cp,gas	1204.39	J/mol×K	981.86	Joback Calculated Property
Cp,gas	1220.60	J/mol×K	1018.31	Joback Calculated Property
Cp,gas	1234.93	J/mol×K	1054.75	Joback Calculated Property
Cp,gas	1247.38	J/mol×K	1091.20	Joback Calculated Property
Cp,gas	1258.01	J/mol×K	1127.65	Joback Calculated Property
Cp,gas	1266.82	J/mol×K	1164.10	Joback Calculated Property
η	[0.0000537; 0.0007276]	Pa×s	[529.49; 945.41]
η	0.0007276	Pa×s	529.49	Joback Calculated Property
η	0.0003664	Pa×s	598.81	Joback Calculated Property
η	0.0002128	Pa×s	668.13	Joback Calculated Property
η	0.0001369	Pa×s	737.45	Joback Calculated Property
η	0.0000950	Pa×s	806.77	Joback Calculated Property
η	0.0000698	Pa×s	876.09	Joback Calculated Property
η	0.0000537	Pa×s	945.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl octyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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