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

InChI

InChI=1S/C20H33ClO4/c1-2-3-8-13-24-19(22)16-10-5-6-11-17(16)20(23)25-14-15-9-4-7-12-18(15)21/h15-18H,2-14H2,1H3

InChI Key

RYVGHSURQYMIMD-UHFFFAOYSA-N

Formula

C20H33ClO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

372.93

• 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	0.7609		Relay (1.0) Calculated Property
ΔfG°	-328.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1032.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.14	kJ/mol	Joback Calculated Property
ΔvapH°	104.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	4.867		Crippen Calculated Property
McVol	298.060	ml/mol	McGowan Calculated Property
Pc	1332.96	kPa	Joback Calculated Property
Inp	[2608.00; 2608.00]
Inp	2608.00		NIST
Inp	2608.00		NIST
Tboil	665.75	K	Relay (1.0) Calculated Property
Tc	894.65	K	Relay (1.0) Calculated Property
Tfus	329.30	K	Relay (1.0) Calculated Property
Vc	1.073	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1000.96; 1087.87]	J/mol×K	[876.77; 1094.35]
Cp,gas	1000.96	J/mol×K	876.77	Joback Calculated Property
Cp,gas	1019.87	J/mol×K	913.03	Joback Calculated Property
Cp,gas	1036.97	J/mol×K	949.30	Joback Calculated Property
Cp,gas	1052.31	J/mol×K	985.56	Joback Calculated Property
Cp,gas	1065.89	J/mol×K	1021.82	Joback Calculated Property
Cp,gas	1077.74	J/mol×K	1058.08	Joback Calculated Property
Cp,gas	1087.87	J/mol×K	1094.35	Joback Calculated Property
η	[0.0000823; 0.0010063]	Pa×s	[495.68; 876.77]
η	0.0010063	Pa×s	495.68	Joback Calculated Property
η	0.0005232	Pa×s	559.20	Joback Calculated Property
η	0.0003108	Pa×s	622.71	Joback Calculated Property
η	0.0002033	Pa×s	686.23	Joback Calculated Property
η	0.0001429	Pa×s	749.74	Joback Calculated Property
η	0.0001062	Pa×s	813.25	Joback Calculated Property
η	0.0000823	Pa×s	876.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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