Chemical Properties of Fumaric Acid (CAS 110-17-8)

InChI

InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+

InChI Key

VZCYOOQTPOCHFL-OWOJBTEDSA-N

Formula

C4H4O4

SMILES

O=C(O)C=CC(=O)O

Molecular Weight¹

116.07

CAS

110-17-8

Other Names

• (E)-2-Butenedioic acid
• (E)-HO2CCH=CHCO2H
• 1,2-Ethenedicarboxylic acid, trans-
• 1,2-Ethylenedicarboxylic acid, (E)
• 2-Butenedioic acid (2E)-
• 2-Butenedioic acid (E)-
• Allomaleic acid
• Boletic acid
• Butenedioic acid, (E)-
• Kyselina fumarova
• Lichenic acid
• NSC-2752
• TRANS-1,2-ETHYLENEDICARBOXYL ACID
• TRANS-BUTENEDIOIC ACID
• Tumaric acid
• U-1149
• USAF EK-P-583
• trans-1,2-Ethylenedicarboxylic Acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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
ΔcH°solid	[-1334.70; -1333.50]	kJ/mol
ΔcH°solid	-1334.70 ± 0.80	kJ/mol	NIST
ΔcH°solid	-1334.70	kJ/mol	NIST
ΔcH°solid	-1333.50	kJ/mol	NIST
ΔfG°	-468.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-538.29	kJ/mol	Joback Calculated Property
ΔfH°liquid	-810.20 ± 1.30	kJ/mol	NIST
ΔfH°solid	[-812.24; -810.98]	kJ/mol
ΔfH°solid	-811.03 ± 0.88	kJ/mol	NIST
ΔfH°solid	-810.98	kJ/mol	NIST
ΔfH°solid	-812.24	kJ/mol	NIST
ΔfusH°	17.69	kJ/mol	Joback Calculated Property
ΔvapH°	71.31	kJ/mol	Joback Calculated Property
IE	[10.70; 10.90]	eV
IE	10.70	eV	NIST
IE	10.90	eV	NIST
log10WS	0.45		Crippen Calculated Property
logPoct/wat	-0.288		Crippen Calculated Property
McVol	77.800	ml/mol	McGowan Calculated Property
Pc	6503.64	kPa	Joback Calculated Property
S°solid,1 bar	166.10	J/mol×K	NIST
Tboil	587.18	K	Joback Calculated Property
Tc	769.82	K	Joback Calculated Property
Tfus	[375.00; 562.55]	K
Tfus	560.45 ± 4.00	K	NIST
Tfus	562.55 ± 0.50	K	NIST
Tfus	375.00 ± 2.00	K	NIST
Tfus	473.00 ± 4.00	K	NIST
Tfus	557.15 ± 4.00	K	NIST
Vc	0.289	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.01; 191.01]	J/mol×K	[587.18; 769.82]
Cp,gas	168.01	J/mol×K	587.18	Joback Calculated Property
Cp,gas	172.46	J/mol×K	617.62	Joback Calculated Property
Cp,gas	176.64	J/mol×K	648.06	Joback Calculated Property
Cp,gas	180.57	J/mol×K	678.50	Joback Calculated Property
Cp,gas	184.27	J/mol×K	708.94	Joback Calculated Property
Cp,gas	187.74	J/mol×K	739.38	Joback Calculated Property
Cp,gas	191.01	J/mol×K	769.82	Joback Calculated Property
Cp,solid	141.80	J/mol×K	297.10	NIST
η	[0.0000492; 0.0094225]	Pa×s	[351.26; 587.18]
η	0.0094225	Pa×s	351.26	Joback Calculated Property
η	0.0025249	Pa×s	390.58	Joback Calculated Property
η	0.0008609	Pa×s	429.90	Joback Calculated Property
η	0.0003515	Pa×s	469.22	Joback Calculated Property
η	0.0001649	Pa×s	508.54	Joback Calculated Property
η	0.0000862	Pa×s	547.86	Joback Calculated Property
η	0.0000492	Pa×s	587.18	Joback Calculated Property
ΔsubH	[123.60; 136.00]	kJ/mol	[364.50; 381.00]
ΔsubH	134.00 ± 4.20	kJ/mol	364.50	NIST
ΔsubH	136.00 ± 6.30	kJ/mol	365.00	NIST
ΔsubH	136.00 ± 6.30	kJ/mol	365.00	NIST
ΔsubH	123.60 ± 2.00	kJ/mol	381.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[92.81; 4989.72]	kPa	[560.15; 771.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.38448e+02
Coefficient B			-2.24627e+04
Coefficient C			-3.11521e+01
Coefficient D			1.05833e-05
Temperature range, min.			560.15
Temperature range, max.			771.00
Pvap	92.81	kPa	560.15	Calculated Property
Pvap	172.02	kPa	583.58	Calculated Property
Pvap	299.54	kPa	607.01	Calculated Property
Pvap	494.99	kPa	630.43	Calculated Property
Pvap	782.85	kPa	653.86	Calculated Property
Pvap	1193.52	kPa	677.29	Calculated Property
Pvap	1764.89	kPa	700.72	Calculated Property
Pvap	2544.61	kPa	724.14	Calculated Property
Pvap	3593.42	kPa	747.57	Calculated Property
Pvap	4989.72	kPa	771.00	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric Acid.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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