Chemical Properties of Hexanoic acid, anhydride (CAS 2051-49-2)

InChI

InChI=1S/C12H22O3/c1-3-5-7-9-11(13)15-12(14)10-8-6-4-2/h3-10H2,1-2H3

InChI Key

PKHMTIRCAFTBDS-UHFFFAOYSA-N

Formula

C12H22O3

SMILES

CCCCCC(=O)OC(=O)CCCCC

Molecular Weight¹

214.30

CAS

2051-49-2

Other Names

• Caproic acid anhydride
• Capronic acid anhydride
• Capronic anhydride
• Hexanoic acid, 1,1'-anhydride
• Hexanoyl anhydride
• caproic anhydride
• hexanoic anhydride
• n-Caproic anhydride
• n-Hexanoic acid anhydride
• n-Hexanoic anhydride

• 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).
• ρ_l : Liquid Density (kg/m³).
• 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	0.7476		Relay (1.0) Calculated Property
ΔfG°	-389.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-785.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.80	kJ/mol	Joback Calculated Property
ΔvapH°	63.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.91	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.217		Crippen Calculated Property
McVol	188.950	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Tboil	[512.15; 520.20]	K
Tboil	520.20	K	NIST
Tboil	512.15 ± 2.00	K	NIST
Tc	698.33	K	Relay (1.0) Calculated Property
Tfus	237.90	K	Relay (1.0) Calculated Property
Vc	0.732	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[482.73; 562.65]	J/mol×K	[586.25; 761.64]
Cp,gas	482.73	J/mol×K	586.25	Joback Calculated Property
Cp,gas	497.71	J/mol×K	615.48	Joback Calculated Property
Cp,gas	512.00	J/mol×K	644.71	Joback Calculated Property
Cp,gas	525.64	J/mol×K	673.95	Joback Calculated Property
Cp,gas	538.62	J/mol×K	703.18	Joback Calculated Property
Cp,gas	550.95	J/mol×K	732.41	Joback Calculated Property
Cp,gas	562.65	J/mol×K	761.64	Joback Calculated Property
η	[0.0001771; 0.0035663]	Pa×s	[317.26; 586.25]
η	0.0035663	Pa×s	317.26	Joback Calculated Property
η	0.0015861	Pa×s	362.09	Joback Calculated Property
η	0.0008433	Pa×s	406.92	Joback Calculated Property
η	0.0005082	Pa×s	451.75	Joback Calculated Property
η	0.0003356	Pa×s	496.59	Joback Calculated Property
η	0.0002374	Pa×s	541.42	Joback Calculated Property
η	0.0001771	Pa×s	586.25	Joback Calculated Property
ρl	923.96	kg/m3	298.15	Excess Molar Enthalpies of Binary Systems of n-Valeric Anhydride or n-Hexanoic Anhydride with n-Dodecane, n-Tetradecane, or n-Hexadecane at 298.15 K

Similar Compounds

Find more compounds similar to Hexanoic acid, anhydride.

Mixtures

• Dodecane + Hexanoic acid, anhydride
• Tetradecane + Hexanoic acid, anhydride
• Hexadecane + Hexanoic acid, anhydride

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Excess Molar Enthalpies of Binary Systems of n-Valeric Anhydride or n-Hexanoic Anhydride with n-Dodecane, n-Tetradecane, or n-Hexadecane at 298.15 K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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