Chemical Properties of di-(1-Methylhexyl)suberate

InChI

InChI=1S/C22H42O4/c1-5-7-11-15-19(3)25-21(23)17-13-9-10-14-18-22(24)26-20(4)16-12-8-6-2/h19-20H,5-18H2,1-4H3

InChI Key

PRNRFJYLKWKOAY-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCCC(C)OC(=O)CCCCCCC(=O)OC(C)CCCCC

Molecular Weight¹

370.57

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.23; 1171.62]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.03440e+01
Coefficient B			1.99608e+00
Coefficient C			-9.90200e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	504.23	J/mol×K	273.00	Calculated Property
Cp,gas	618.58	J/mol×K	353.78	Calculated Property
Cp,gas	721.87	J/mol×K	434.56	Calculated Property
Cp,gas	814.56	J/mol×K	515.33	Calculated Property
Cp,gas	897.04	J/mol×K	596.11	Calculated Property
Cp,gas	969.77	J/mol×K	676.89	Calculated Property
Cp,gas	1033.17	J/mol×K	757.67	Calculated Property
Cp,gas	1087.65	J/mol×K	838.44	Calculated Property
Cp,gas	1133.66	J/mol×K	919.22	Calculated Property
Cp,gas	1171.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019174; 0.0000503]	Pa×s	[392.36; 702.38]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.45069e+01
Coefficient B			3.23704e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			392.36
Temperature range, max.			702.38
η	0.0019174	Pa×s	392.36	Calculated Property
η	0.0009852	Pa×s	426.81	Calculated Property
η	0.0005592	Pa×s	461.25	Calculated Property
η	0.0003434	Pa×s	495.70	Calculated Property
η	0.0002246	Pa×s	530.15	Calculated Property
η	0.0001548	Pa×s	564.59	Calculated Property
η	0.0001113	Pa×s	599.04	Calculated Property
η	0.0000830	Pa×s	633.48	Calculated Property
η	0.0000637	Pa×s	667.93	Calculated Property
η	0.0000503	Pa×s	702.38	Calculated Property

Similar Compounds

Find more compounds similar to di-(1-Methylhexyl)suberate.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.