Chemical Properties of Propanoic acid, anhydride (CAS 123-62-6)

InChI

InChI=1S/C6H10O3/c1-3-5(7)9-6(8)4-2/h3-4H2,1-2H3

InChI Key

WYVAMUWZEOHJOQ-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

CCC(=O)OC(=O)CC

Molecular Weight¹

130.14

CAS

123-62-6

Other Names

• Anhydrid kyseliny propionove
• C2H5C(O)OC(O)C2H5
• Propanoic acid, 1,1'-anhydride
• Propionic acid anhydride
• UN 2496
• methylacetic anhydride
• propanoic anhydride
• propionic acid, anhydride
• propionic anhydride
• propionyl oxide

• 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	0.5222		Relay (1.0) Calculated Property
ΔfG°	-439.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-659.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.26	kJ/mol	Joback Calculated Property
ΔvapH°	44.20	kJ/mol	Relay (1.0) Calculated Property
IE	10.20	eV	Relay (1.0) Calculated Property
log10WS	-0.70		Relay (1.0) Calculated Property
logPoct/wat	0.876		Crippen Calculated Property
McVol	104.410	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
NFPA Safety	1		KDB
Pc	3356.75	kPa	Joback Calculated Property
Tboil	[438.15; 469.15]	K
Tboil	440.15	K	KDB
Tboil	440.20	K	NIST
Tboil	442.15	K	NIST
Tboil	440.40 ± 0.50	K	NIST
Tboil	440.00 ± 0.50	K	NIST
Tboil	438.15 ± 2.00	K	NIST
Tboil	Outlier 469.15 ± 1.00	K	NIST
Tboil	440.15 ± 1.50	K	NIST
Tboil	438.15 ± 3.00	K	NIST
Tc	602.44	K	Relay (1.0) Calculated Property
Tfus	[228.15; 230.15]	K
Tfus	230.15	K	NIST
Tfus	228.15 ± 0.50	K	NIST
Vc	0.406	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.97; 264.03]	J/mol×K	[448.97; 634.46]
Cp,gas	211.97	J/mol×K	448.97	Joback Calculated Property
Cp,gas	221.59	J/mol×K	479.88	Joback Calculated Property
Cp,gas	230.84	J/mol×K	510.80	Joback Calculated Property
Cp,gas	239.71	J/mol×K	541.71	Joback Calculated Property
Cp,gas	248.20	J/mol×K	572.63	Joback Calculated Property
Cp,gas	256.30	J/mol×K	603.54	Joback Calculated Property
Cp,gas	264.03	J/mol×K	634.46	Joback Calculated Property
η	[0.0002978; 0.0043769]	Pa×s	[249.64; 448.97]
η	0.0043769	Pa×s	249.64	Joback Calculated Property
η	0.0021497	Pa×s	282.86	Joback Calculated Property
η	0.0012260	Pa×s	316.08	Joback Calculated Property
η	0.0007780	Pa×s	349.30	Joback Calculated Property
η	0.0005343	Pa×s	382.53	Joback Calculated Property
η	0.0003897	Pa×s	415.75	Joback Calculated Property
η	0.0002978	Pa×s	448.97	Joback Calculated Property
ΔvapH	[48.20; 52.20]	kJ/mol	[366.50; 390.50]
ΔvapH	48.20	kJ/mol	366.50	NIST
ΔvapH	52.20	kJ/mol	390.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[287.16; 471.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.40259e+01
Coefficient B			-1.62754e+04
Coefficient C			3.98458e+02
Temperature range, min.			287.16
Temperature range, max.			471.21
Pvap	1.33	kPa	287.16	Calculated Property
Pvap	2.65	kPa	307.61	Calculated Property
Pvap	5.07	kPa	328.06	Calculated Property
Pvap	9.37	kPa	348.51	Calculated Property
Pvap	16.74	kPa	368.96	Calculated Property
Pvap	29.03	kPa	389.41	Calculated Property
Pvap	48.96	kPa	409.86	Calculated Property
Pvap	80.47	kPa	430.31	Calculated Property
Pvap	129.13	kPa	450.76	Calculated Property
Pvap	202.65	kPa	471.21	Calculated Property
Pvap	[2.27e-04; 3003.77]	kPa	[228.15; 618.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.33844e+01
Coefficient B			-8.86827e+03
Coefficient C			-9.79008e+00
Coefficient D			4.94606e-06
Temperature range, min.			228.15
Temperature range, max.			618.00
Pvap	2.27e-04	kPa	228.15	Calculated Property
Pvap	0.02	kPa	271.47	Calculated Property
Pvap	0.54	kPa	314.78	Calculated Property
Pvap	5.37	kPa	358.10	Calculated Property
Pvap	29.89	kPa	401.42	Calculated Property
Pvap	112.98	kPa	444.73	Calculated Property
Pvap	326.03	kPa	488.05	Calculated Property
Pvap	776.02	kPa	531.37	Calculated Property
Pvap	1606.65	kPa	574.68	Calculated Property
Pvap	3003.77	kPa	618.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, anhydride.

Mixtures

• Carbon dioxide + Propanoic acid, anhydride

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Experimental Determination and Modeling of the Phase Behavior of the CO2 + Propionic Anhydride Binary System at High Pressure
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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