Chemical Properties of Butyl sorbate (CAS 7367-78-4)

InChI

InChI=1S/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3/b5-3+,8-7+

InChI Key

SCVZKPKDMFXESQ-VSAQMIDASA-N

Formula

C10H16O2

SMILES

CC=CC=CC(=O)OCCCC

Molecular Weight¹

168.23

CAS

7367-78-4

Other Names

• 2,4-Hexadienoic acid, butyl ester,
• butyl (E,E)-hexa-2,4-dienoate

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5016		Relay (1.0) Calculated Property
ΔfH°gas	-379.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.43	kJ/mol	Joback Calculated Property
ΔvapH°	58.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.24		Relay (1.0) Calculated Property
logPoct/wat	2.462		Crippen Calculated Property
McVol	150.600	ml/mol	McGowan Calculated Property
Pc	2336.03	kPa	Joback Calculated Property
Inp	[1258.00; 1258.00]
Inp	1258.00		NIST
Inp	1258.00		NIST
I	[1694.00; 1694.00]
I	1694.00		NIST
I	1694.00		NIST
Tboil	471.69	K	Relay (1.0) Calculated Property
Tc	663.68	K	Relay (1.0) Calculated Property
Tfus	271.11	K	Relay (1.0) Calculated Property
Vc	0.533	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	[327.94; 400.78]	J/mol×K	[494.94; 679.80]
Cp,gas	327.94	J/mol×K	494.94	Joback Calculated Property
Cp,gas	341.72	J/mol×K	525.75	Joback Calculated Property
Cp,gas	354.81	J/mol×K	556.56	Joback Calculated Property
Cp,gas	367.24	J/mol×K	587.37	Joback Calculated Property
Cp,gas	379.02	J/mol×K	618.18	Joback Calculated Property
Cp,gas	390.20	J/mol×K	648.99	Joback Calculated Property
Cp,gas	400.78	J/mol×K	679.80	Joback Calculated Property
η	[0.0001471; 0.0052426]	Pa×s	[234.63; 494.94]
η	0.0052426	Pa×s	234.63	Joback Calculated Property
η	0.0018157	Pa×s	278.01	Joback Calculated Property
η	0.0008373	Pa×s	321.40	Joback Calculated Property
η	0.0004642	Pa×s	364.78	Joback Calculated Property
η	0.0002917	Pa×s	408.17	Joback Calculated Property
η	0.0002004	Pa×s	451.55	Joback Calculated Property
η	0.0001471	Pa×s	494.94	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Butyl sorbate.

Sources

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

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