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 : 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
I	[1720.00; 1754.00]
I	1754.00		NIST
I	1720.00		NIST
I	1754.00		NIST
I	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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.16; 245.62]	J/mol×K	[464.40; 633.56]
Cp,gas	202.16	J/mol×K	464.40	Joback Calculated Property
Cp,gas	210.13	J/mol×K	492.59	Joback Calculated Property
Cp,gas	217.81	J/mol×K	520.79	Joback Calculated Property
Cp,gas	225.20	J/mol×K	548.98	Joback Calculated Property
Cp,gas	232.30	J/mol×K	577.18	Joback Calculated Property
Cp,gas	239.11	J/mol×K	605.37	Joback Calculated Property
Cp,gas	245.62	J/mol×K	633.56	Joback Calculated Property
η	[0.0001945; 0.0418915]	Pa×s	[249.26; 464.40]
η	0.0418915	Pa×s	249.26	Joback Calculated Property
η	0.0097444	Pa×s	285.12	Joback Calculated Property
η	0.0031397	Pa×s	320.97	Joback Calculated Property
η	0.0012702	Pa×s	356.83	Joback Calculated Property
η	0.0006062	Pa×s	392.69	Joback Calculated Property
η	0.0003275	Pa×s	428.54	Joback Calculated Property
η	0.0001945	Pa×s	464.40	Joback 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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