Chemical Properties of Acetic acid, 3-hydroxypropyl ester

InChI

InChI=1S/C5H10O3/c1-5(7)8-4-2-3-6/h6H,2-4H2,1H3

InChI Key

DOUBAFNWVFAWEC-UHFFFAOYSA-N

Formula

C5H10O3

SMILES

CC(=O)OCCCO

Molecular Weight¹

118.13

• 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).
• 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_p : 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	0.6747		Relay (1.0) Calculated Property
ΔfG°	-455.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-635.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.16	kJ/mol	Joback Calculated Property
ΔvapH°	67.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	0.48		Relay (1.0) Calculated Property
logPoct/wat	-0.068		Crippen Calculated Property
McVol	94.620	ml/mol	McGowan Calculated Property
Pc	3901.37	kPa	Joback Calculated Property
Inp	947.00		NIST
Ip	[1720.00; 1754.00]
Ip	1754.00		NIST
Ip	1720.00		NIST
Ip	1754.00		NIST
Ip	1720.00		NIST
Tboil	466.38	K	Relay (1.0) Calculated Property
Tc	663.41	K	Relay (1.0) Calculated Property
Tfus	244.36	K	Relay (1.0) Calculated Property
Vc	0.352	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.39; 304.06]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.90430e+01
Coefficient B			4.58020e-01
Coefficient C			-1.84000e-04
Coefficient D			1.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.39	J/mol×K	273.00	Calculated Property
Cp,gas	168.10	J/mol×K	353.78	Calculated Property
Cp,gas	193.41	J/mol×K	434.56	Calculated Property
Cp,gas	216.35	J/mol×K	515.33	Calculated Property
Cp,gas	236.90	J/mol×K	596.11	Calculated Property
Cp,gas	255.08	J/mol×K	676.89	Calculated Property
Cp,gas	270.88	J/mol×K	757.67	Calculated Property
Cp,gas	284.31	J/mol×K	838.44	Calculated Property
Cp,gas	295.37	J/mol×K	919.22	Calculated Property
Cp,gas	304.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0418915; 0.0002609]	Pa×s	[249.26; 443.49]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47692e+01
Coefficient B			2.89055e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			249.26
Temperature range, max.			443.49
η	0.0418915	Pa×s	249.26	Calculated Property
η	0.0166270	Pa×s	270.84	Calculated Property
η	0.0075638	Pa×s	292.42	Calculated Property
η	0.0038343	Pa×s	314.00	Calculated Property
η	0.0021212	Pa×s	335.59	Calculated Property
η	0.0012605	Pa×s	357.17	Calculated Property
η	0.0007948	Pa×s	378.75	Calculated Property
η	0.0005267	Pa×s	400.33	Calculated Property
η	0.0003641	Pa×s	421.91	Calculated Property
η	0.0002609	Pa×s	443.49	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 3-hydroxypropyl ester.

Sources

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

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