Chemical Properties of Sebacic acid, 2,4-dimethylpent-3-yl propyl ester

InChI

InChI=1S/C20H38O4/c1-6-15-23-18(21)13-11-9-7-8-10-12-14-19(22)24-20(16(2)3)17(4)5/h16-17,20H,6-15H2,1-5H3

InChI Key

UVGKBFPMQWWZAV-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

342.51

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1082.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.72	kJ/mol	Joback Calculated Property
ΔvapH°	91.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	5.284		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1037.90	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	606.14	K	Relay (1.0) Calculated Property
Tc	774.08	K	Relay (1.0) Calculated Property
Tfus	256.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[953.46; 1049.88]	J/mol×K	[772.32; 952.56]
Cp,gas	953.46	J/mol×K	772.32	Joback Calculated Property
Cp,gas	972.26	J/mol×K	802.36	Joback Calculated Property
Cp,gas	989.94	J/mol×K	832.40	Joback Calculated Property
Cp,gas	1006.52	J/mol×K	862.44	Joback Calculated Property
Cp,gas	1022.03	J/mol×K	892.48	Joback Calculated Property
Cp,gas	1036.48	J/mol×K	922.52	Joback Calculated Property
Cp,gas	1049.88	J/mol×K	952.56	Joback Calculated Property
η	[0.0000328; 0.0036146]	Pa×s	[354.82; 772.32]
η	0.0036146	Pa×s	354.82	Joback Calculated Property
η	0.0008683	Pa×s	424.40	Joback Calculated Property
η	0.0003117	Pa×s	493.99	Joback Calculated Property
η	0.0001441	Pa×s	563.57	Joback Calculated Property
η	0.0000789	Pa×s	633.15	Joback Calculated Property
η	0.0000487	Pa×s	702.74	Joback Calculated Property
η	0.0000328	Pa×s	772.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, 2,4-dimethylpent-3-yl propyl ester.

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.