Chemical Properties of Citric acid (CAS 77-92-9)

InChI

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChI Key

KRKNYBCHXYNGOX-UHFFFAOYSA-N

Formula

C6H8O7

SMILES

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

Molecular Weight¹

192.12

CAS

77-92-9

Other Names

• 1,2,3-Propanetricarboxylic acid, 2-hydroxy-
• 2-Hydroxy-1,2,3-propanetricarboxylic acid
• 3-Carboxy-3-hydroxypentane-1,5-dioic acid
• Aciletten
• Anhydrous citric acid
• Chemfill
• Citretten
• Citric acid, anhydrous
• Citro
• F 0001 (polycarboxylic acid)
• Hydrocerol A
• Kyselina 2-hydroxy-1,2,3-propantrikarbonova
• Kyselina citronova
• NSC 30279
• NSC 626579
• «beta»-Hydroxytricarballylic 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_fH°_solid : Solid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-1960.60 ± 4.60	kJ/mol	NIST
ΔfH°solid	-1543.80 ± 4.60	kJ/mol	NIST
ΔfusH°	38.40	kJ/mol	Joback Calculated Property
ΔvapH°	125.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	0.51		Aq. Solubility Prediction
logPoct/wat	-1.249		Crippen Calculated Property
McVol	123.590	ml/mol	McGowan Calculated Property
S°solid,1 bar	252.10	J/mol×K	NIST
Tboil	532.07	K	Relay (1.0) Calculated Property
Tfus	[426.40; 427.15]	K
Tfus	426.40	K	Aq. Solubility Prediction
Tfus	427.15 ± 1.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.60; 390.30]	J/mol×K	[862.36; 1076.90]
Cp,gas	363.60	J/mol×K	862.36	Joback Calculated Property
Cp,gas	368.57	J/mol×K	898.12	Joback Calculated Property
Cp,gas	373.25	J/mol×K	933.87	Joback Calculated Property
Cp,gas	377.71	J/mol×K	969.63	Joback Calculated Property
Cp,gas	381.99	J/mol×K	1005.39	Joback Calculated Property
Cp,gas	386.17	J/mol×K	1041.14	Joback Calculated Property
Cp,gas	390.30	J/mol×K	1076.90	Joback Calculated Property
Cp,solid	226.51	J/mol×K	300.00	NIST
η	[0.0000192; 0.0000745]	Pa×s	[702.42; 862.36]
η	0.0000745	Pa×s	702.42	Joback Calculated Property
η	0.0000570	Pa×s	729.08	Joback Calculated Property
η	0.0000444	Pa×s	755.73	Joback Calculated Property
η	0.0000352	Pa×s	782.39	Joback Calculated Property
η	0.0000284	Pa×s	809.05	Joback Calculated Property
η	0.0000232	Pa×s	835.70	Joback Calculated Property
η	0.0000192	Pa×s	862.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citric acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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