Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2-methylcyclohexyl ester

InChI

InChI=1S/C19H32O4/c1-3-4-13-22-18(20)15-10-6-7-11-16(15)19(21)23-17-12-8-5-9-14(17)2/h14-17H,3-13H2,1-2H3

InChI Key

PUUCICBQTSLTHS-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

324.45

• 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°	-325.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-857.13	kJ/mol	Joback Calculated Property
ΔfusH°	36.35	kJ/mol	Joback Calculated Property
ΔvapH°	76.44	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	4.258		Crippen Calculated Property
McVol	271.730	ml/mol	McGowan Calculated Property
Pc	1472.49	kPa	Joback Calculated Property
Inp	[2226.00; 2226.00]
Inp	2226.00		NIST
Inp	2226.00		NIST
Tboil	816.46	K	Joback Calculated Property
Tc	1031.59	K	Joback Calculated Property
Tfus	454.49	K	Joback Calculated Property
Vc	1.012	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.91; 1008.93]	J/mol×K	[816.46; 1031.59]
Cp,gas	908.91	J/mol×K	816.46	Joback Calculated Property
Cp,gas	929.86	J/mol×K	852.31	Joback Calculated Property
Cp,gas	949.08	J/mol×K	888.17	Joback Calculated Property
Cp,gas	966.59	J/mol×K	924.02	Joback Calculated Property
Cp,gas	982.39	J/mol×K	959.88	Joback Calculated Property
Cp,gas	996.50	J/mol×K	995.73	Joback Calculated Property
Cp,gas	1008.93	J/mol×K	1031.59	Joback Calculated Property
η	[0.0001078; 0.0013470]	Pa×s	[454.49; 816.46]
η	0.0013470	Pa×s	454.49	Joback Calculated Property
η	0.0006909	Pa×s	514.82	Joback Calculated Property
η	0.0004077	Pa×s	575.15	Joback Calculated Property
η	0.0002659	Pa×s	635.48	Joback Calculated Property
η	0.0001868	Pa×s	695.80	Joback Calculated Property
η	0.0001388	Pa×s	756.13	Joback Calculated Property
η	0.0001078	Pa×s	816.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2-methylcyclohexyl ester.

Sources

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

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