Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexadecyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C31H58O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-35-30(32)28-20-17-18-21-29(28)31(33)36-26-23-27(2)22-25-34-3/h27-29H,4-26H2,1-3H3

InChI Key

UDASPNAIHSYCEG-UHFFFAOYSA-N

Formula

C31H58O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

510.79

• 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°	-348.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1276.29	kJ/mol	Joback Calculated Property
ΔfusH°	72.19	kJ/mol	Joback Calculated Property
ΔvapH°	105.05	kJ/mol	Joback Calculated Property
log10WS	-8.78		Crippen Calculated Property
logPoct/wat	8.423		Crippen Calculated Property
McVol	457.540	ml/mol	McGowan Calculated Property
Pc	644.51	kPa	Joback Calculated Property
Inp	[3493.00; 3493.00]
Inp	3493.00		NIST
Inp	3493.00		NIST
Tboil	1098.12	K	Joback Calculated Property
Tc	1371.10	K	Joback Calculated Property
Tfus	593.82	K	Joback Calculated Property
Vc	1.764	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1698.32; 1769.22]	J/mol×K	[1098.12; 1371.10]
Cp,gas	1698.32	J/mol×K	1098.12	Joback Calculated Property
Cp,gas	1717.97	J/mol×K	1143.62	Joback Calculated Property
Cp,gas	1734.37	J/mol×K	1189.11	Joback Calculated Property
Cp,gas	1747.61	J/mol×K	1234.61	Joback Calculated Property
Cp,gas	1757.77	J/mol×K	1280.11	Joback Calculated Property
Cp,gas	1764.95	J/mol×K	1325.60	Joback Calculated Property
Cp,gas	1769.22	J/mol×K	1371.10	Joback Calculated Property
η	[0.0000090; 0.0001985]	Pa×s	[593.82; 1098.12]
η	0.0001985	Pa×s	593.82	Joback Calculated Property
η	0.0000861	Pa×s	677.87	Joback Calculated Property
η	0.0000449	Pa×s	761.92	Joback Calculated Property
η	0.0000266	Pa×s	845.97	Joback Calculated Property
η	0.0000174	Pa×s	930.02	Joback Calculated Property
η	0.0000122	Pa×s	1014.07	Joback Calculated Property
η	0.0000090	Pa×s	1098.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl 5-methoxy-3-methylpentyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.