Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(3-methylbut-2-yl) ester

InChI

InChI=1S/C18H32O4/c1-11(2)13(5)21-17(19)15-9-7-8-10-16(15)18(20)22-14(6)12(3)4/h11-16H,7-10H2,1-6H3

InChI Key

RMIWZZXXPRWNSX-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

CC(C)C(C)OC(=O)C1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

312.44

• 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°	-360.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.59	kJ/mol	Joback Calculated Property
ΔfusH°	26.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.54	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	268.500	ml/mol	McGowan Calculated Property
Pc	1423.99	kPa	Joback Calculated Property
Inp	[1952.00; 1952.00]
Inp	1952.00		NIST
Inp	1952.00		NIST
Tboil	776.94	K	Joback Calculated Property
Tc	981.30	K	Joback Calculated Property
Tfus	380.08	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.71; 950.22]	J/mol×K	[776.94; 981.30]
Cp,gas	850.71	J/mol×K	776.94	Joback Calculated Property
Cp,gas	870.74	J/mol×K	811.00	Joback Calculated Property
Cp,gas	889.38	J/mol×K	845.06	Joback Calculated Property
Cp,gas	906.63	J/mol×K	879.12	Joback Calculated Property
Cp,gas	922.51	J/mol×K	913.18	Joback Calculated Property
Cp,gas	937.03	J/mol×K	947.24	Joback Calculated Property
Cp,gas	950.22	J/mol×K	981.30	Joback Calculated Property
η	[0.0000663; 0.0027441]	Pa×s	[380.08; 776.94]
η	0.0027441	Pa×s	380.08	Joback Calculated Property
η	0.0009317	Pa×s	446.22	Joback Calculated Property
η	0.0004181	Pa×s	512.37	Joback Calculated Property
η	0.0002254	Pa×s	578.51	Joback Calculated Property
η	0.0001379	Pa×s	644.65	Joback Calculated Property
η	0.0000924	Pa×s	710.80	Joback Calculated Property
η	0.0000663	Pa×s	776.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(3-methylbut-2-yl) ester.

Sources

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

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