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
• Caproic anhydride
• Capronic acid anhydride
• Capronic anhydride
• Hexanoic acid, 1,1'-anhydride
• Hexanoic anhydride
• Hexanoyl 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°	-312.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-785.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.22	kJ/mol	Joback Calculated Property
ΔvapH°	62.55	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	1956.14	kPa	Joback Calculated Property
Tboil	[512.15; 520.20]	K
Tboil	520.20	K	NIST
Tboil	512.15 ± 2.00	K	NIST
Tc	695.00	K	Relay (1.0) Calculated Property
Tfus	241.64	K	Relay (1.0) Calculated Property
Vc	0.730	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[488.75; 567.63]	J/mol×K	[604.12; 781.95]
Cp,gas	488.75	J/mol×K	604.12	Joback Calculated Property
Cp,gas	503.49	J/mol×K	633.76	Joback Calculated Property
Cp,gas	517.57	J/mol×K	663.40	Joback Calculated Property
Cp,gas	531.02	J/mol×K	693.04	Joback Calculated Property
Cp,gas	543.84	J/mol×K	722.67	Joback Calculated Property
Cp,gas	556.04	J/mol×K	752.31	Joback Calculated Property
Cp,gas	567.63	J/mol×K	781.95	Joback Calculated Property
η	[0.0001937; 0.0024044]	Pa×s	[347.09; 604.12]
η	0.0024044	Pa×s	347.09	Joback Calculated Property
η	0.0012547	Pa×s	389.93	Joback Calculated Property
η	0.0007447	Pa×s	432.77	Joback Calculated Property
η	0.0004856	Pa×s	475.61	Joback Calculated Property
η	0.0003398	Pa×s	518.44	Joback Calculated Property
η	0.0002511	Pa×s	561.28	Joback Calculated Property
η	0.0001937	Pa×s	604.12	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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