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

InChI

InChI=1S/C19H36O4/c1-14(2)12-16(5)22-18(20)10-8-7-9-11-19(21)23-17(6)13-15(3)4/h14-17H,7-13H2,1-6H3

InChI Key

DQWBJMUKGCXVLM-UHFFFAOYSA-N

Formula

C19H36O4

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

328.49

• 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	-1124.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.61	kJ/mol	Joback Calculated Property
ΔvapH°	88.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	4.893		Crippen Calculated Property
McVol	293.450	ml/mol	McGowan Calculated Property
Pc	1111.11	kPa	Joback Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Tboil	573.14	K	Relay (1.0) Calculated Property
Tc	746.62	K	Relay (1.0) Calculated Property
Tfus	254.44	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	[894.11; 990.28]	J/mol×K	[749.00; 929.24]
Cp,gas	894.11	J/mol×K	749.00	Joback Calculated Property
Cp,gas	912.80	J/mol×K	779.04	Joback Calculated Property
Cp,gas	930.41	J/mol×K	809.08	Joback Calculated Property
Cp,gas	946.95	J/mol×K	839.12	Joback Calculated Property
Cp,gas	962.42	J/mol×K	869.16	Joback Calculated Property
Cp,gas	976.86	J/mol×K	899.20	Joback Calculated Property
Cp,gas	990.28	J/mol×K	929.24	Joback Calculated Property
η	[0.0000353; 0.0062477]	Pa×s	[328.55; 749.00]
η	0.0062477	Pa×s	328.55	Joback Calculated Property
η	0.0012348	Pa×s	398.62	Joback Calculated Property
η	0.0003963	Pa×s	468.70	Joback Calculated Property
η	0.0001709	Pa×s	538.78	Joback Calculated Property
η	0.0000895	Pa×s	608.85	Joback Calculated Property
η	0.0000535	Pa×s	678.92	Joback Calculated Property
η	0.0000353	Pa×s	749.00	Joback Calculated Property

Similar Compounds

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

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.
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