Chemical Properties of Citric acid, trimethyl ester (CAS 1587-20-8)

InChI

InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3

InChI Key

HDDLVZWGOPWKFW-UHFFFAOYSA-N

Formula

C9H14O7

SMILES

COC(=O)CC(O)(CC(=O)OC)C(=O)OC

Molecular Weight¹

234.20

CAS

1587-20-8

Other Names

• 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trimethyl ester
• Trimethyl citrate
• 3-Hydroxy-3-methoxycarbonylpentanedioic acid, dimethyl ester

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.8137		Relay (1.0) Calculated Property
ΔfG°	-810.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1311.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.10	kJ/mol	Joback Calculated Property
ΔvapH°	81.66	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-0.26		Relay (1.0) Calculated Property
logPoct/wat	-0.983		Crippen Calculated Property
McVol	165.860	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[1424.00; 1461.00]
Inp	1442.00		NIST
Inp	1461.00		NIST
Inp	1424.00		NIST
Inp	1424.00		NIST
Inp	1442.00		NIST
Inp	1442.00		NIST
Inp	1442.00		NIST
Inp	1461.00		NIST
Tboil	535.70	K	Relay (1.0) Calculated Property
Tc	736.48	K	Relay (1.0) Calculated Property
Tfus	328.56	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[461.78; 511.25]	J/mol×K	[723.14; 912.95]
Cp,gas	461.78	J/mol×K	723.14	Joback Calculated Property
Cp,gas	471.58	J/mol×K	754.77	Joback Calculated Property
Cp,gas	480.77	J/mol×K	786.41	Joback Calculated Property
Cp,gas	489.33	J/mol×K	818.04	Joback Calculated Property
Cp,gas	497.27	J/mol×K	849.68	Joback Calculated Property
Cp,gas	504.58	J/mol×K	881.31	Joback Calculated Property
Cp,gas	511.25	J/mol×K	912.95	Joback Calculated Property
η	[0.0000299; 0.0006814]	Pa×s	[470.91; 723.14]
η	0.0006814	Pa×s	470.91	Joback Calculated Property
η	0.0003268	Pa×s	512.95	Joback Calculated Property
η	0.0001751	Pa×s	554.99	Joback Calculated Property
η	0.0001025	Pa×s	597.02	Joback Calculated Property
η	0.0000644	Pa×s	639.06	Joback Calculated Property
η	0.0000428	Pa×s	681.10	Joback Calculated Property
η	0.0000299	Pa×s	723.14	Joback Calculated Property
ΔvapH	617.40	kJ/mol	469.50	NIST

Similar Compounds

Find more compounds similar to Citric acid, trimethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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