Chemical Properties of Glutaric acid, 4,4-dimethylpent-2-yl octyl ester

InChI

InChI=1S/C20H38O4/c1-6-7-8-9-10-11-15-23-18(21)13-12-14-19(22)24-17(2)16-20(3,4)5/h17H,6-16H2,1-5H3

InChI Key

BUYSHKCDEPLTKQ-UHFFFAOYSA-N

Formula

C20H38O4

SMILES

CCCCCCCCOC(=O)CCCC(=O)OC(C)CC(C)(C)C

Molecular Weight¹

342.51

• 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

Property	Value	Unit	Source
ω	0.9337		Relay (1.0) Calculated Property
ΔfG°	-349.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1106.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.19	kJ/mol	Joback Calculated Property
ΔvapH°	88.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Relay (1.0) Calculated Property
logPoct/wat	5.428		Crippen Calculated Property
McVol	307.540	ml/mol	McGowan Calculated Property
Pc	1097.17	kPa	Joback Calculated Property
Inp	[2407.00; 2407.00]
Inp	2407.00		NIST
Inp	2407.00		NIST
Tboil	603.99	K	Relay (1.0) Calculated Property
Tc	767.33	K	Relay (1.0) Calculated Property
Tfus	276.91	K	Relay (1.0) Calculated Property
Vc	1.164	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.67; 1065.27]	J/mol×K	[805.91; 992.86]
Cp,gas	970.67	J/mol×K	805.91	Joback Calculated Property
Cp,gas	989.01	J/mol×K	837.07	Joback Calculated Property
Cp,gas	1006.28	J/mol×K	868.23	Joback Calculated Property
Cp,gas	1022.51	J/mol×K	899.38	Joback Calculated Property
Cp,gas	1037.73	J/mol×K	930.54	Joback Calculated Property
Cp,gas	1051.98	J/mol×K	961.70	Joback Calculated Property
Cp,gas	1065.27	J/mol×K	992.86	Joback Calculated Property
η	[0.0000392; 0.0009605]	Pa×s	[446.90; 805.91]
η	0.0009605	Pa×s	446.90	Joback Calculated Property
η	0.0004114	Pa×s	506.73	Joback Calculated Property
η	0.0002108	Pa×s	566.57	Joback Calculated Property
η	0.0001227	Pa×s	626.40	Joback Calculated Property
η	0.0000785	Pa×s	686.24	Joback Calculated Property
η	0.0000540	Pa×s	746.08	Joback Calculated Property
η	0.0000392	Pa×s	805.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4,4-dimethylpent-2-yl octyl 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.