Chemical Properties of Butanoic acid, anhydride (CAS 106-31-0)

InChI

InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3

InChI Key

YHASWHZGWUONAO-UHFFFAOYSA-N

Formula

C8H14O3

SMILES

CCCC(=O)OC(=O)CCC

Molecular Weight¹

158.19

CAS

106-31-0

Other Names

• Anhydrid kyseliny maselne
• BUTANOIC ANHYDRIDE
• BUTYRYL OXIDE
• Butanoic acid, 1,1'-anhydride
• Butyranhydrid
• Butyric acid anhydride
• Butyric anhydride
• N-BUTYRIC ACID ANHYDRIDE
• UN 2739
• n-Butanoic anhydride
• n-Butyric anhydride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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
ΔfG°	-346.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-565.83	kJ/mol	Joback Calculated Property
ΔfusH°	20.86	kJ/mol	Joback Calculated Property
ΔvapH°	49.30	kJ/mol	Joback Calculated Property
log10WS	-1.81		Crippen Calculated Property
logPoct/wat	1.656		Crippen Calculated Property
McVol	132.590	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	1		KDB
NFPA Safety	1		KDB
Pc	2838.39	kPa	Joback Calculated Property
Tboil	[464.15; 471.40]	K
Tboil	471.40 ± 0.60	K	NIST
Tboil	471.00 ± 0.50	K	NIST
Tboil	464.15 ± 2.50	K	NIST
Tboil	471.35 ± 0.50	K	NIST
Tc	697.35	K	Joback Calculated Property
Tfus	198.15 ± 0.60	K	NIST
Vc	0.513	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[298.67; 361.25]	J/mol×K	[512.60; 697.35]
Cp,gas	298.67	J/mol×K	512.60	Joback Calculated Property
Cp,gas	310.25	J/mol×K	543.39	Joback Calculated Property
Cp,gas	321.37	J/mol×K	574.18	Joback Calculated Property
Cp,gas	332.03	J/mol×K	604.98	Joback Calculated Property
Cp,gas	342.23	J/mol×K	635.77	Joback Calculated Property
Cp,gas	351.97	J/mol×K	666.56	Joback Calculated Property
Cp,gas	361.25	J/mol×K	697.35	Joback Calculated Property
η	[0.0002790; 0.0027356]	Pa×s	[302.01; 512.60]
η	0.0027356	Pa×s	302.01	Joback Calculated Property
η	0.0015339	Pa×s	337.11	Joback Calculated Property
η	0.0009592	Pa×s	372.21	Joback Calculated Property
η	0.0006504	Pa×s	407.31	Joback Calculated Property
η	0.0004690	Pa×s	442.40	Joback Calculated Property
η	0.0003549	Pa×s	477.50	Joback Calculated Property
η	0.0002790	Pa×s	512.60	Joback Calculated Property
ΔvapH	49.10	kJ/mol	409.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[348.50; 499.92]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64793e+01
Coefficient B			-5.44987e+03
Coefficient C			-1.19200e+01
Temperature range, min.			348.50
Temperature range, max.			499.92
Pvap	1.33	kPa	348.50	Calculated Property
Pvap	2.88	kPa	365.32	Calculated Property
Pvap	5.81	kPa	382.15	Calculated Property
Pvap	11.01	kPa	398.97	Calculated Property
Pvap	19.80	kPa	415.80	Calculated Property
Pvap	33.96	kPa	432.62	Calculated Property
Pvap	55.88	kPa	449.45	Calculated Property
Pvap	88.63	kPa	466.27	Calculated Property
Pvap	136.01	kPa	483.10	Calculated Property
Pvap	202.66	kPa	499.92	Calculated Property
Pvap	[3.29e-08; 2723.02]	kPa	[199.85; 639.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.82855e+02
Coefficient B			-1.39777e+04
Coefficient C			-2.46850e+01
Coefficient D			1.56521e-05
Temperature range, min.			199.85
Temperature range, max.			639.00
Pvap	3.29e-08	kPa	199.85	Calculated Property
Pvap	1.92e-04	kPa	248.64	Calculated Property
Pvap	0.04	kPa	297.44	Calculated Property
Pvap	1.03	kPa	346.23	Calculated Property
Pvap	10.21	kPa	395.03	Calculated Property
Pvap	53.47	kPa	443.82	Calculated Property
Pvap	188.49	kPa	492.62	Calculated Property
Pvap	520.38	kPa	541.41	Calculated Property
Pvap	1240.28	kPa	590.21	Calculated Property
Pvap	2723.02	kPa	639.00	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, anhydride.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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