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

InChI

InChI=1S/C17H21ClO4/c1-2-11-21-16(19)14-5-3-4-6-15(14)17(20)22-13-9-7-12(18)8-10-13/h7-10,14-15H,2-6,11H2,1H3

InChI Key

QNBQXLUZHWOQSH-UHFFFAOYSA-N

Formula

C17H21ClO4

SMILES

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

Molecular Weight¹

324.80

• 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°	-267.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-640.51	kJ/mol	Joback Calculated Property
ΔfusH°	36.11	kJ/mol	Joback Calculated Property
ΔvapH°	79.19	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	4.005		Crippen Calculated Property
McVol	242.890	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
Inp	[2332.00; 2332.00]
Inp	2332.00		NIST
Inp	2332.00		NIST
Tboil	824.91	K	Joback Calculated Property
Tc	1053.94	K	Joback Calculated Property
Tfus	497.67	K	Joback Calculated Property
Vc	0.908	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[729.03; 802.47]	J/mol×K	[824.91; 1053.94]
Cp,gas	729.03	J/mol×K	824.91	Joback Calculated Property
Cp,gas	744.93	J/mol×K	863.08	Joback Calculated Property
Cp,gas	759.35	J/mol×K	901.25	Joback Calculated Property
Cp,gas	772.29	J/mol×K	939.42	Joback Calculated Property
Cp,gas	783.78	J/mol×K	977.60	Joback Calculated Property
Cp,gas	793.83	J/mol×K	1015.77	Joback Calculated Property
Cp,gas	802.47	J/mol×K	1053.94	Joback Calculated Property
η	[0.0000961; 0.0008127]	Pa×s	[497.67; 824.91]
η	0.0008127	Pa×s	497.67	Joback Calculated Property
η	0.0004777	Pa×s	552.21	Joback Calculated Property
η	0.0003089	Pa×s	606.75	Joback Calculated Property
η	0.0002147	Pa×s	661.29	Joback Calculated Property
η	0.0001577	Pa×s	715.83	Joback Calculated Property
η	0.0001210	Pa×s	770.37	Joback Calculated Property
η	0.0000961	Pa×s	824.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl propyl ester.

Sources

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

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