Chemical Properties of Propanoic acid, 3-(acetyloxy)-2-(hydroxymethyl)-, ethyl ester, (+)- (CAS 125476-48-4)

InChI

InChI=1S/C8H14O5/c1-3-12-8(11)7(4-9)5-13-6(2)10/h7,9H,3-5H2,1-2H3

InChI Key

WFTLWYCUWKENDL-UHFFFAOYSA-N

Formula

C8H14O5

SMILES

CCOC(=O)C(CO)COC(C)=O

Molecular Weight¹

190.19

CAS

125476-48-4

Other Names

• Ethyl 3-(acetyloxy)-2-(hydroxymethyl)propanoate, (+)-
• Ethyl propanoic acid, 3-(acetyloxy)-2-(hydroxymethyl)-

• 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).
• 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
ΔfG°	-590.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-855.56	kJ/mol	Joback Calculated Property
ΔfusH°	22.62	kJ/mol	Joback Calculated Property
ΔvapH°	68.00	kJ/mol	Joback Calculated Property
log10WS	0.08		Crippen Calculated Property
logPoct/wat	-0.279		Crippen Calculated Property
McVol	144.330	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
Tboil	626.76	K	Joback Calculated Property
Tc	805.81	K	Joback Calculated Property
Tfus	370.06	K	Joback Calculated Property
Vc	0.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.00; 427.12]	J/mol×K	[626.76; 805.81]
Cp,gas	373.00	J/mol×K	626.76	Joback Calculated Property
Cp,gas	383.17	J/mol×K	656.60	Joback Calculated Property
Cp,gas	392.88	J/mol×K	686.44	Joback Calculated Property
Cp,gas	402.14	J/mol×K	716.29	Joback Calculated Property
Cp,gas	410.94	J/mol×K	746.13	Joback Calculated Property
Cp,gas	419.27	J/mol×K	775.97	Joback Calculated Property
Cp,gas	427.12	J/mol×K	805.81	Joback Calculated Property
η	[0.0000641; 0.0032891]	Pa×s	[370.06; 626.76]
η	0.0032891	Pa×s	370.06	Joback Calculated Property
η	0.0012145	Pa×s	412.84	Joback Calculated Property
η	0.0005407	Pa×s	455.63	Joback Calculated Property
η	0.0002766	Pa×s	498.41	Joback Calculated Property
η	0.0001573	Pa×s	541.19	Joback Calculated Property
η	0.0000972	Pa×s	583.98	Joback Calculated Property
η	0.0000641	Pa×s	626.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-(acetyloxy)-2-(hydroxymethyl)-, ethyl ester, (+)-.

Sources

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

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