Chemical Properties of Butanedioic acid, dihexyl ester (CAS 15805-75-1)

InChI

InChI=1S/C16H30O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h3-14H2,1-2H3

InChI Key

XEYHWMQDXTVNJW-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CCCCCCOC(=O)CCC(=O)OCCCCCC

Molecular Weight¹

286.41

CAS

15805-75-1

Other Names

• Dihexyl succinate

• 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	0.9018		Relay (1.0) Calculated Property
ΔfH°gas	-987.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.93	kJ/mol	Joback Calculated Property
ΔvapH°	86.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	4.014		Crippen Calculated Property
McVol	251.180	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[1910.00; 1941.00]
Inp	1941.00		NIST
Inp	1910.00		NIST
Tboil	580.19	K	Relay (1.0) Calculated Property
Tc	747.36	K	Relay (1.0) Calculated Property
Tfus	264.85	K	Relay (1.0) Calculated Property
Vc	0.978	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	[718.59; 807.57]	J/mol×K	[682.12; 853.11]
Cp,gas	718.59	J/mol×K	682.12	Joback Calculated Property
Cp,gas	735.50	J/mol×K	710.62	Joback Calculated Property
Cp,gas	751.56	J/mol×K	739.12	Joback Calculated Property
Cp,gas	766.79	J/mol×K	767.62	Joback Calculated Property
Cp,gas	781.20	J/mol×K	796.11	Joback Calculated Property
Cp,gas	794.79	J/mol×K	824.61	Joback Calculated Property
Cp,gas	807.57	J/mol×K	853.11	Joback Calculated Property
η	[0.0000751; 0.0025205]	Pa×s	[354.74; 682.12]
η	0.0025205	Pa×s	354.74	Joback Calculated Property
η	0.0009500	Pa×s	409.30	Joback Calculated Property
η	0.0004505	Pa×s	463.87	Joback Calculated Property
η	0.0002499	Pa×s	518.43	Joback Calculated Property
η	0.0001551	Pa×s	572.99	Joback Calculated Property
η	0.0001046	Pa×s	627.56	Joback Calculated Property
η	0.0000751	Pa×s	682.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanedioic acid, dihexyl ester.

Sources

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

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