Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl pentyl ester

InChI

InChI=1S/C19H25ClO4/c1-2-3-6-13-23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h9-12,16-17H,2-8,13H2,1H3

InChI Key

IOFQNQLRZAOBIB-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

352.85

• 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).
• 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
ΔfG°	-251.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-681.79	kJ/mol	Joback Calculated Property
ΔfusH°	41.29	kJ/mol	Joback Calculated Property
ΔvapH°	83.64	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen 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	[2528.00; 2528.00]
Inp	2528.00		NIST
Inp	2528.00		NIST
Tboil	870.67	K	Joback Calculated Property
Tc	1094.87	K	Joback Calculated Property
Tfus	520.21	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

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, 4-chlorophenyl pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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