Chemical Properties of 1,2,3-Propanetriol, 1-acetate (CAS 106-61-6)

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

106-61-6

Other Names

• Acetin, 1-mono-
• «alpha»-Monoacetin
• Glycerol «alpha»-monoacetate
• 1-Monoacetin
• 2,3-Dihydroxypropyl acetate
• Glycerol 1-acetate
• Glycerol 1-monoacetate
• (.+/-.)-2,3-Dihydroxypropyl acetate
• Glycerine 1-acetate
• Glyceryl 1-monoacetate
• NSC 35010

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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
ΔfG°	-595.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-810.92	kJ/mol	Relay (1.0) Calculated Property
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; 1095.20]
Inp	1095.20		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1095.20		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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.04; 282.77]	J/mol×K	[556.14; 722.89]
Cp,gas	244.04	J/mol×K	556.14	Joback Calculated Property
Cp,gas	251.26	J/mol×K	583.93	Joback Calculated Property
Cp,gas	258.17	J/mol×K	611.72	Joback Calculated Property
Cp,gas	264.78	J/mol×K	639.52	Joback Calculated Property
Cp,gas	271.08	J/mol×K	667.31	Joback Calculated Property
Cp,gas	277.08	J/mol×K	695.10	Joback Calculated Property
Cp,gas	282.77	J/mol×K	722.89	Joback Calculated Property
η	[0.0000475; 0.0771767]	Pa×s	[295.08; 556.14]
η	0.0771767	Pa×s	295.08	Joback Calculated Property
η	0.0101958	Pa×s	338.59	Joback Calculated Property
η	0.0021358	Pa×s	382.10	Joback Calculated Property
η	0.0006159	Pa×s	425.61	Joback Calculated Property
η	0.0002237	Pa×s	469.12	Joback Calculated Property
η	0.0000965	Pa×s	512.63	Joback Calculated Property
η	0.0000475	Pa×s	556.14	Joback Calculated Property
ΔvapH	74.00	kJ/mol	421.50	NIST

Similar Compounds

Find more compounds similar to 1,2,3-Propanetriol, 1-acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.