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

InChI

InChI=1S/C19H26O4/c1-4-22-18(20)16-7-5-6-8-17(16)19(21)23-15-11-9-14(10-12-15)13(2)3/h9-13,16-17H,4-8H2,1-3H3

InChI Key

BCBDQFQRRMJRKG-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

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

Molecular Weight¹

318.41

• 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°	-241.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-671.33	kJ/mol	Joback Calculated Property
ΔfusH°	33.57	kJ/mol	Joback Calculated Property
ΔvapH°	78.87	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.085		Crippen Calculated Property
McVol	258.830	ml/mol	McGowan Calculated Property
Pc	1660.55	kPa	Joback Calculated Property
Inp	[2293.00; 2322.00]
Inp	2293.00		NIST
Inp	2322.00		NIST
Tboil	832.80	K	Joback Calculated Property
Tc	1056.75	K	Joback Calculated Property
Tfus	475.29	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.30; 901.12]	J/mol×K	[832.80; 1056.75]
Cp,gas	818.30	J/mol×K	832.80	Joback Calculated Property
Cp,gas	835.96	J/mol×K	870.13	Joback Calculated Property
Cp,gas	852.05	J/mol×K	907.45	Joback Calculated Property
Cp,gas	866.59	J/mol×K	944.78	Joback Calculated Property
Cp,gas	879.60	J/mol×K	982.10	Joback Calculated Property
Cp,gas	891.10	J/mol×K	1019.43	Joback Calculated Property
Cp,gas	901.12	J/mol×K	1056.75	Joback Calculated Property
η	[0.0000769; 0.0009080]	Pa×s	[475.29; 832.80]
η	0.0009080	Pa×s	475.29	Joback Calculated Property
η	0.0004785	Pa×s	534.88	Joback Calculated Property
η	0.0002868	Pa×s	594.46	Joback Calculated Property
η	0.0001886	Pa×s	654.04	Joback Calculated Property
η	0.0001331	Pa×s	713.63	Joback Calculated Property
η	0.0000991	Pa×s	773.21	Joback Calculated Property
η	0.0000769	Pa×s	832.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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