Chemical Properties of Glycerol monoacetate (CAS 26446-35-5)

InChI

InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3

InChI Key

KMZHZAAOEWVPSE-UHFFFAOYSA-N

Formula

C5H10O4

SMILES

CC(=O)OCC(O)CO

Molecular Weight¹

134.13

CAS

26446-35-5

Other Names

• glycerol acetate
• Monoacetine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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	0.7586		Relay (1.0) Calculated Property
ΔcH°liquid	-2487.50 ± 3.70	kJ/mol	NIST
ΔfG°	-595.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-810.92	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-903.53	kJ/mol	NIST
ΔfusH°	17.73	kJ/mol	Joback Calculated Property
ΔvapH°	85.61	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	0.63		Relay (1.0) Calculated Property
logPoct/wat	-1.097		Crippen Calculated Property
McVol	100.490	ml/mol	McGowan Calculated Property
Pc	4438.52	kPa	Joback Calculated Property
Inp	[1091.00; 1091.00]
Inp	1091.00		NIST
Inp	1091.00		NIST
I	[2250.00; 2271.00]
I	2250.00		NIST
I	2271.00		NIST
I	2271.00		NIST
I	2250.00		NIST
Tboil	511.42	K	Relay (1.0) Calculated Property
Tc	719.83	K	Relay (1.0) Calculated Property
Tfus	283.20	K	Relay (1.0) Calculated Property
Vc	0.374	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.58; 323.27]	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			3.26520e+01
Coefficient B			4.97920e-01
Coefficient C			-2.17600e-04
Coefficient D			1.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.58	J/mol×K	273.00	Calculated Property
Cp,gas	182.03	J/mol×K	353.78	Calculated Property
Cp,gas	208.78	J/mol×K	434.56	Calculated Property
Cp,gas	232.87	J/mol×K	515.33	Calculated Property
Cp,gas	254.33	J/mol×K	596.11	Calculated Property
Cp,gas	273.18	J/mol×K	676.89	Calculated Property
Cp,gas	289.47	J/mol×K	757.67	Calculated Property
Cp,gas	303.23	J/mol×K	838.44	Calculated Property
Cp,gas	314.49	J/mol×K	919.22	Calculated Property
Cp,gas	323.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0771767; 0.0001086]	Pa×s	[295.08; 506.02]	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			-1.83132e+01
Coefficient B			4.64796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			295.08
Temperature range, max.			506.02
η	0.0771767	Pa×s	295.08	Calculated Property
η	0.0242160	Pa×s	318.52	Calculated Property
η	0.0089069	Pa×s	341.96	Calculated Property
η	0.0037245	Pa×s	365.39	Calculated Property
η	0.0017301	Pa×s	388.83	Calculated Property
η	0.0008769	Pa×s	412.27	Calculated Property
η	0.0004781	Pa×s	435.71	Calculated Property
η	0.0002774	Pa×s	459.15	Calculated Property
η	0.0001696	Pa×s	482.59	Calculated Property
η	0.0001086	Pa×s	506.02	Calculated Property

Similar Compounds

Find more compounds similar to Glycerol monoacetate.

Sources

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

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