Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, methyl octyl ester

InChI

InChI=1S/C17H30O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h14-15H,3-13H2,1-2H3

InChI Key

YSQLVTLGMPIMCY-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

298.42

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7679		Relay (1.0) Calculated Property
ΔfG°	-358.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-940.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.27	kJ/mol	Joback Calculated Property
ΔvapH°	91.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	254.410	ml/mol	McGowan Calculated Property
Pc	1495.35	kPa	Joback Calculated Property
Inp	[2079.00; 2079.00]
Inp	2079.00		NIST
Inp	2079.00		NIST
Tboil	592.07	K	Relay (1.0) Calculated Property
Tc	801.09	K	Relay (1.0) Calculated Property
Tfus	300.53	K	Relay (1.0) Calculated Property
Vc	0.930	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[789.64; 885.53]	J/mol×K	[755.82; 950.83]
Cp,gas	789.64	J/mol×K	755.82	Joback Calculated Property
Cp,gas	808.55	J/mol×K	788.32	Joback Calculated Property
Cp,gas	826.28	J/mol×K	820.82	Joback Calculated Property
Cp,gas	842.83	J/mol×K	853.33	Joback Calculated Property
Cp,gas	858.22	J/mol×K	885.83	Joback Calculated Property
Cp,gas	872.45	J/mol×K	918.33	Joback Calculated Property
Cp,gas	885.53	J/mol×K	950.83	Joback Calculated Property
η	[0.0001055; 0.0013472]	Pa×s	[428.81; 755.82]
η	0.0013472	Pa×s	428.81	Joback Calculated Property
η	0.0006936	Pa×s	483.31	Joback Calculated Property
η	0.0004086	Pa×s	537.81	Joback Calculated Property
η	0.0002653	Pa×s	592.31	Joback Calculated Property
η	0.0001852	Pa×s	646.82	Joback Calculated Property
η	0.0001368	Pa×s	701.32	Joback Calculated Property
η	0.0001055	Pa×s	755.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, methyl octyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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