Chemical Properties of di-(1,3-Dimethylbutyl)suberate

InChI

InChI=1S/C20H38O4/c1-15(2)13-17(5)23-19(21)11-9-7-8-10-12-20(22)24-18(6)14-16(3)4/h15-18H,7-14H2,1-6H3

InChI Key

BUBWKQQEBOLOSS-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CC(C)CC(C)OC(=O)CCCCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

342.52

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1143.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.20	kJ/mol	Joback Calculated Property
ΔvapH°	91.53	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	5.283		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1043.27	kPa	Joback Calculated Property
Inp	[2062.00; 2062.00]
Inp	2062.00		NIST
Inp	2062.00		NIST
Tboil	582.25	K	Relay (1.0) Calculated Property
Tc	756.26	K	Relay (1.0) Calculated Property
Tfus	258.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[953.93; 1050.87]	J/mol×K	[771.88; 953.41]
Cp,gas	953.93	J/mol×K	771.88	Joback Calculated Property
Cp,gas	972.87	J/mol×K	802.14	Joback Calculated Property
Cp,gas	990.67	J/mol×K	832.39	Joback Calculated Property
Cp,gas	1007.35	J/mol×K	862.65	Joback Calculated Property
Cp,gas	1022.94	J/mol×K	892.90	Joback Calculated Property
Cp,gas	1037.44	J/mol×K	923.16	Joback Calculated Property
Cp,gas	1050.87	J/mol×K	953.41	Joback Calculated Property
η	[0.0000302; 0.0051875]	Pa×s	[339.82; 771.88]
η	0.0051875	Pa×s	339.82	Joback Calculated Property
η	0.0010394	Pa×s	411.83	Joback Calculated Property
η	0.0003361	Pa×s	483.84	Joback Calculated Property
η	0.0001456	Pa×s	555.85	Joback Calculated Property
η	0.0000764	Pa×s	627.86	Joback Calculated Property
η	0.0000458	Pa×s	699.87	Joback Calculated Property
η	0.0000302	Pa×s	771.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to di-(1,3-Dimethylbutyl)suberate.

Sources

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

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