Chemical Properties of Adipic acid, butyl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C17H32O4/c1-6-7-12-20-15(18)10-8-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3

InChI Key

XSCNOJMTCNMZEE-UHFFFAOYSA-N

Formula

C17H32O4

SMILES

CCCCOC(=O)CCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

300.44

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8382		Relay (1.0) Calculated Property
ΔfH°gas	-1026.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.95	kJ/mol	Joback Calculated Property
ΔvapH°	81.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	4.114		Crippen Calculated Property
McVol	265.270	ml/mol	McGowan Calculated Property
Pc	1261.06	kPa	Joback Calculated Property
Inp	[1901.00; 1901.00]
Inp	1901.00		NIST
Inp	1901.00		NIST
Tboil	580.36	K	Relay (1.0) Calculated Property
Tc	744.00	K	Relay (1.0) Calculated Property
Tfus	228.41	K	Relay (1.0) Calculated Property
Vc	0.981	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.79; 870.11]	J/mol×K	[703.68; 880.95]
Cp,gas	776.79	J/mol×K	703.68	Joback Calculated Property
Cp,gas	794.73	J/mol×K	733.23	Joback Calculated Property
Cp,gas	811.70	J/mol×K	762.77	Joback Calculated Property
Cp,gas	827.71	J/mol×K	792.32	Joback Calculated Property
Cp,gas	842.77	J/mol×K	821.86	Joback Calculated Property
Cp,gas	856.90	J/mol×K	851.41	Joback Calculated Property
Cp,gas	870.11	J/mol×K	880.95	Joback Calculated Property
η	[0.0000517; 0.0059722]	Pa×s	[321.01; 703.68]
η	0.0059722	Pa×s	321.01	Joback Calculated Property
η	0.0014039	Pa×s	384.79	Joback Calculated Property
η	0.0004982	Pa×s	448.57	Joback Calculated Property
η	0.0002288	Pa×s	512.35	Joback Calculated Property
η	0.0001248	Pa×s	576.12	Joback Calculated Property
η	0.0000768	Pa×s	639.90	Joback Calculated Property
η	0.0000517	Pa×s	703.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, butyl 2,4-dimethylpent-3-yl ester.

Sources

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

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