Chemical Properties of Propanoic acid, 2-hydroxy-, methyl ester, (.+/-.)- (CAS 2155-30-8)

InChI

InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3

InChI Key

LPEKGGXMPWTOCB-UHFFFAOYSA-N

Formula

C4H8O3

SMILES

COC(=O)C(C)O

Molecular Weight¹

104.10

CAS

2155-30-8

Other Names

• Lactic acid, methyl ester, (.+/-.)-
• Propanoic acid, 2-hydroxy-, methyl ester, (±)-
• Lactic acid, methyl ester, (±)-
• methyl (±)-lactate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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.
• I : 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	0.5685		Relay (1.0) Calculated Property
ΔfH°gas	-616.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.05	kJ/mol	Joback Calculated Property
ΔvapH°	54.85	kJ/mol	Relay (1.0) Calculated Property
IE	10.36	eV	Relay (1.0) Calculated Property
log10WS	1.10		Relay (1.0) Calculated Property
logPoct/wat	-0.460		Crippen Calculated Property
McVol	80.530	ml/mol	McGowan Calculated Property
Pc	4462.28	kPa	Joback Calculated Property
Inp	[713.00; 754.00]
Inp	754.00		NIST
Inp	713.00		NIST
Inp	748.00		NIST
Inp	714.00		NIST
I	[1309.00; 1335.00]
I	1309.00		NIST
I	1314.00		NIST
I	1335.00		NIST
I	1335.00		NIST
I	1328.00		NIST
I	1331.00		NIST
I	1335.00		NIST
Tboil	405.40	K	Relay (1.0) Calculated Property
Tc	599.51	K	Relay (1.0) Calculated Property
Tfus	236.54	K	Relay (1.0) Calculated Property
Vc	0.308	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.19; 202.30]	J/mol×K	[441.08; 615.05]
Cp,gas	164.19	J/mol×K	441.08	Joback Calculated Property
Cp,gas	171.17	J/mol×K	470.08	Joback Calculated Property
Cp,gas	177.90	J/mol×K	499.07	Joback Calculated Property
Cp,gas	184.38	J/mol×K	528.07	Joback Calculated Property
Cp,gas	190.61	J/mol×K	557.06	Joback Calculated Property
Cp,gas	196.58	J/mol×K	586.06	Joback Calculated Property
Cp,gas	202.30	J/mol×K	615.05	Joback Calculated Property
η	[0.0002237; 0.1199635]	Pa×s	[222.99; 441.08]
η	0.1199635	Pa×s	222.99	Joback Calculated Property
η	0.0202019	Pa×s	259.34	Joback Calculated Property
η	0.0052716	Pa×s	295.69	Joback Calculated Property
η	0.0018460	Pa×s	332.03	Joback Calculated Property
η	0.0007952	Pa×s	368.38	Joback Calculated Property
η	0.0003985	Pa×s	404.73	Joback Calculated Property
η	0.0002237	Pa×s	441.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-hydroxy-, methyl ester, (.+/-.)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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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