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

InChI

InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-23-17-12-11-13-18-23/h23-25H,2-22H2,1H3

InChI Key

YSMQZWNXWWFLLW-UHFFFAOYSA-N

Formula

C27H48O4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

436.67

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.0271		Relay (1.0) Calculated Property
ΔfH°gas	-1140.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.16	kJ/mol	Joback Calculated Property
ΔvapH°	125.28	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.28		Relay (1.0) Calculated Property
logPoct/wat	7.380		Crippen Calculated Property
McVol	384.450	ml/mol	McGowan Calculated Property
Pc	853.47	kPa	Joback Calculated Property
Inp	[3128.00; 3128.00]
Inp	3128.00		NIST
Inp	3128.00		NIST
Tboil	698.37	K	Relay (1.0) Calculated Property
Tc	922.42	K	Relay (1.0) Calculated Property
Tfus	307.60	K	Relay (1.0) Calculated Property
Vc	1.425	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1388.20; 1474.14]	J/mol×K	[968.23; 1185.90]
Cp,gas	1388.20	J/mol×K	968.23	Joback Calculated Property
Cp,gas	1407.61	J/mol×K	1004.51	Joback Calculated Property
Cp,gas	1424.91	J/mol×K	1040.79	Joback Calculated Property
Cp,gas	1440.16	J/mol×K	1077.06	Joback Calculated Property
Cp,gas	1453.41	J/mol×K	1113.34	Joback Calculated Property
Cp,gas	1464.72	J/mol×K	1149.62	Joback Calculated Property
Cp,gas	1474.14	J/mol×K	1185.90	Joback Calculated Property
η	[0.0000196; 0.0007734]	Pa×s	[489.23; 968.23]
η	0.0007734	Pa×s	489.23	Joback Calculated Property
η	0.0002729	Pa×s	569.06	Joback Calculated Property
η	0.0001244	Pa×s	648.90	Joback Calculated Property
η	0.0000674	Pa×s	728.73	Joback Calculated Property
η	0.0000412	Pa×s	808.56	Joback Calculated Property
η	0.0000275	Pa×s	888.40	Joback Calculated Property
η	0.0000196	Pa×s	968.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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