Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isobutyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C18H21Cl3O4/c1-10(2)9-24-17(22)12-5-3-4-6-13(12)18(23)25-16-14(20)7-11(19)8-15(16)21/h7-8,10,12-13H,3-6,9H2,1-2H3

InChI Key

JWLXFBMPAPOBSF-UHFFFAOYSA-N

Formula

C18H21Cl3O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

407.72

• 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°	-305.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-720.85	kJ/mol	Joback Calculated Property
ΔfusH°	42.80	kJ/mol	Joback Calculated Property
ΔvapH°	91.12	kJ/mol	Joback Calculated Property
log10WS	-6.06		Crippen Calculated Property
logPoct/wat	5.558		Crippen Calculated Property
McVol	281.460	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[2637.00; 2637.00]
Inp	2637.00		NIST
Inp	2637.00		NIST
Tboil	932.17	K	Joback Calculated Property
Tc	1169.25	K	Joback Calculated Property
Tfus	578.82	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.03; 882.88]	J/mol×K	[932.17; 1169.25]
Cp,gas	832.03	J/mol×K	932.17	Joback Calculated Property
Cp,gas	844.50	J/mol×K	971.68	Joback Calculated Property
Cp,gas	855.35	J/mol×K	1011.20	Joback Calculated Property
Cp,gas	864.60	J/mol×K	1050.71	Joback Calculated Property
Cp,gas	872.27	J/mol×K	1090.23	Joback Calculated Property
Cp,gas	878.35	J/mol×K	1129.74	Joback Calculated Property
Cp,gas	882.88	J/mol×K	1169.25	Joback Calculated Property
η	[0.0000595; 0.0004384]	Pa×s	[578.82; 932.17]
η	0.0004384	Pa×s	578.82	Joback Calculated Property
η	0.0002695	Pa×s	637.71	Joback Calculated Property
η	0.0001799	Pa×s	696.60	Joback Calculated Property
η	0.0001279	Pa×s	755.50	Joback Calculated Property
η	0.0000955	Pa×s	814.39	Joback Calculated Property
η	0.0000742	Pa×s	873.28	Joback Calculated Property
η	0.0000595	Pa×s	932.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isobutyl 2,4,6-trichlorophenyl ester.

Sources

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

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