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 acid, 1,1'-anhydride
• Butanoic anhydride
• Butyranhydrid
• Butyric acid anhydride
• Butyric anhydride
• Butyryl oxide
• UN 2739
• n-Butanoic anhydride
• n-Butyric acid anhydride
• n-Butyric 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.6063		Relay (1.0) Calculated Property
ΔfG°	-422.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-707.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.44	kJ/mol	Joback Calculated Property
ΔvapH°	50.48	kJ/mol	Relay (1.0) Calculated Property
IE	10.04	eV	Relay (1.0) Calculated Property
log10WS	-1.88		Relay (1.0) 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	2718.33	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	635.61	K	Relay (1.0) Calculated Property
Tfus	198.15 ± 0.60	K	NIST
Vc	0.515	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.52; 358.24]	J/mol×K	[494.73; 676.61]
Cp,gas	294.52	J/mol×K	494.73	Joback Calculated Property
Cp,gas	306.37	J/mol×K	525.04	Joback Calculated Property
Cp,gas	317.72	J/mol×K	555.36	Joback Calculated Property
Cp,gas	328.59	J/mol×K	585.67	Joback Calculated Property
Cp,gas	338.96	J/mol×K	615.98	Joback Calculated Property
Cp,gas	348.84	J/mol×K	646.29	Joback Calculated Property
Cp,gas	358.24	J/mol×K	676.61	Joback Calculated Property
η	[0.0002606; 0.0043237]	Pa×s	[272.18; 494.73]
η	0.0043237	Pa×s	272.18	Joback Calculated Property
η	0.0020446	Pa×s	309.27	Joback Calculated Property
η	0.0011350	Pa×s	346.36	Joback Calculated Property
η	0.0007061	Pa×s	383.45	Joback Calculated Property
η	0.0004776	Pa×s	420.55	Joback Calculated Property
η	0.0003442	Pa×s	457.64	Joback Calculated Property
η	0.0002606	Pa×s	494.73	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 Yaws Handbook of Vapor Pressure
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 Vapor Pressure Data
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
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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