Chemical Properties of Butanoic acid, 2,3-dihydroxypropyl ester (CAS 557-25-5)

InChI

InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3

InChI Key

RIEABXYBQSLTFR-UHFFFAOYSA-N

Formula

C7H14O3

SMILES

CCCC(=O)OCC(O)CO

Molecular Weight¹

146.18

CAS

557-25-5

Other Names

• «alpha»-Monobutyrin
• Butyrin, 1-mono-
• Glycerol-«alpha»-mono-n-butyrate
• 1-Monobutyrin
• Mono-n-butyrin
• 1-Mono-n-butyrin
• 2,3-dihydroxypropyl butyrate
• (dl) butyric acid, 2,3-dihydroxypropyl ester

• 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).
• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.70; 384.13]	J/mol×K	[619.77; 787.77]
Cp,gas	336.70	J/mol×K	619.77	Joback Calculated Property
Cp,gas	345.52	J/mol×K	647.77	Joback Calculated Property
Cp,gas	353.98	J/mol×K	675.77	Joback Calculated Property
Cp,gas	362.06	J/mol×K	703.77	Joback Calculated Property
Cp,gas	369.78	J/mol×K	731.77	Joback Calculated Property
Cp,gas	377.14	J/mol×K	759.77	Joback Calculated Property
Cp,gas	384.13	J/mol×K	787.77	Joback Calculated Property
η	[0.0000269; 0.0118715]	Pa×s	[347.45; 619.77]
η	0.0118715	Pa×s	347.45	Joback Calculated Property
η	0.0023943	Pa×s	392.84	Joback Calculated Property
η	0.0006728	Pa×s	438.22	Joback Calculated Property
η	0.0002399	Pa×s	483.61	Joback Calculated Property
η	0.0001021	Pa×s	529.00	Joback Calculated Property
η	0.0000497	Pa×s	574.38	Joback Calculated Property
η	0.0000269	Pa×s	619.77	Joback Calculated Property
ΔvapH	80.40	kJ/mol	420.50	NIST

Similar Compounds

Find more compounds similar to Butanoic acid, 2,3-dihydroxypropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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