Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl propyl ester

InChI

InChI=1S/C20H28O4/c1-4-13-23-19(21)16-10-5-6-11-17(16)20(22)24-18-12-8-7-9-15(18)14(2)3/h7-9,12,14,16-17H,4-6,10-11,13H2,1-3H3

InChI Key

KSOXNPOWIOQOJP-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

CCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

332.43

• 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°	-233.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.97	kJ/mol	Joback Calculated Property
ΔfusH°	36.16	kJ/mol	Joback Calculated Property
ΔvapH°	81.10	kJ/mol	Joback Calculated Property
log10WS	-5.01		Crippen Calculated Property
logPoct/wat	4.475		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Pc	1537.87	kPa	Joback Calculated Property
Inp	[2292.00; 2292.00]
Inp	2292.00		NIST
Inp	2292.00		NIST
Tboil	855.68	K	Joback Calculated Property
Tc	1077.51	K	Joback Calculated Property
Tfus	486.56	K	Joback Calculated Property
Vc	1.022	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[877.32; 959.24]	J/mol×K	[855.68; 1077.51]
Cp,gas	877.32	J/mol×K	855.68	Joback Calculated Property
Cp,gas	894.86	J/mol×K	892.65	Joback Calculated Property
Cp,gas	910.82	J/mol×K	929.62	Joback Calculated Property
Cp,gas	925.22	J/mol×K	966.60	Joback Calculated Property
Cp,gas	938.07	J/mol×K	1003.57	Joback Calculated Property
Cp,gas	949.40	J/mol×K	1040.54	Joback Calculated Property
Cp,gas	959.24	J/mol×K	1077.51	Joback Calculated Property
η	[0.0000673; 0.0008252]	Pa×s	[486.56; 855.68]
η	0.0008252	Pa×s	486.56	Joback Calculated Property
η	0.0004299	Pa×s	548.08	Joback Calculated Property
η	0.0002555	Pa×s	609.60	Joback Calculated Property
η	0.0001670	Pa×s	671.12	Joback Calculated Property
η	0.0001172	Pa×s	732.64	Joback Calculated Property
η	0.0000870	Pa×s	794.16	Joback Calculated Property
η	0.0000673	Pa×s	855.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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