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

InChI

InChI=1S/C16H19ClO4/c1-2-20-15(18)13-5-3-4-6-14(13)16(19)21-12-9-7-11(17)8-10-12/h7-10,13-14H,2-6H2,1H3

InChI Key

QOKITVWVLSSTFG-UHFFFAOYSA-N

Formula

C16H19ClO4

SMILES

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

Molecular Weight¹

310.77

• 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	0.6532		Relay (1.0) Calculated Property
ΔfG°	-276.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-730.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.52	kJ/mol	Joback Calculated Property
ΔvapH°	95.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-4.68		Relay (1.0) Calculated Property
logPoct/wat	3.615		Crippen Calculated Property
McVol	228.800	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
Inp	[2233.00; 2233.00]
Inp	2233.00		NIST
Inp	2233.00		NIST
Tboil	628.66	K	Relay (1.0) Calculated Property
Tc	864.39	K	Relay (1.0) Calculated Property
Tfus	341.94	K	Relay (1.0) Calculated Property
Vc	0.804	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[672.35; 745.90]	J/mol×K	[802.03; 1034.41]
Cp,gas	672.35	J/mol×K	802.03	Joback Calculated Property
Cp,gas	688.24	J/mol×K	840.76	Joback Calculated Property
Cp,gas	702.65	J/mol×K	879.49	Joback Calculated Property
Cp,gas	715.61	J/mol×K	918.22	Joback Calculated Property
Cp,gas	727.13	J/mol×K	956.95	Joback Calculated Property
Cp,gas	737.22	J/mol×K	995.68	Joback Calculated Property
Cp,gas	745.90	J/mol×K	1034.41	Joback Calculated Property
η	[0.0001095; 0.0008856]	Pa×s	[486.40; 802.03]
η	0.0008856	Pa×s	486.40	Joback Calculated Property
η	0.0005274	Pa×s	539.00	Joback Calculated Property
η	0.0003444	Pa×s	591.61	Joback Calculated Property
η	0.0002411	Pa×s	644.22	Joback Calculated Property
η	0.0001781	Pa×s	696.82	Joback Calculated Property
η	0.0001373	Pa×s	749.42	Joback Calculated Property
η	0.0001095	Pa×s	802.03	Joback Calculated Property

Similar Compounds

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