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

InChI

InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(23)19-16-13-12-15-18(19)20(22)24-2/h18-19H,3-17H2,1-2H3

InChI Key

LHCLDAKIWGPUMD-UHFFFAOYSA-N

Formula

C21H38O4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

354.52

• 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	0.9137		Relay (1.0) Calculated Property
ΔfG°	-325.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1020.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.63	kJ/mol	Joback Calculated Property
ΔvapH°	107.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	5.430		Crippen Calculated Property
McVol	310.770	ml/mol	McGowan Calculated Property
Pc	1133.67	kPa	Joback Calculated Property
Inp	[2504.00; 2504.00]
Inp	2504.00		NIST
Inp	2504.00		NIST
Tboil	621.95	K	Relay (1.0) Calculated Property
Tc	836.13	K	Relay (1.0) Calculated Property
Tfus	316.53	K	Relay (1.0) Calculated Property
Vc	1.149	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1030.95; 1126.84]	J/mol×K	[847.34; 1044.08]
Cp,gas	1030.95	J/mol×K	847.34	Joback Calculated Property
Cp,gas	1050.31	J/mol×K	880.13	Joback Calculated Property
Cp,gas	1068.30	J/mol×K	912.92	Joback Calculated Property
Cp,gas	1084.92	J/mol×K	945.71	Joback Calculated Property
Cp,gas	1100.21	J/mol×K	978.50	Joback Calculated Property
Cp,gas	1114.17	J/mol×K	1011.29	Joback Calculated Property
Cp,gas	1126.84	J/mol×K	1044.08	Joback Calculated Property
η	[0.0000615; 0.0009131]	Pa×s	[473.89; 847.34]
η	0.0009131	Pa×s	473.89	Joback Calculated Property
η	0.0004486	Pa×s	536.13	Joback Calculated Property
η	0.0002555	Pa×s	598.37	Joback Calculated Property
η	0.0001618	Pa×s	660.62	Joback Calculated Property
η	0.0001109	Pa×s	722.86	Joback Calculated Property
η	0.0000807	Pa×s	785.10	Joback Calculated Property
η	0.0000615	Pa×s	847.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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