Chemical Properties of 1,2,3-Propanetriol, tripropanoate (CAS 139-45-7)

InChI

InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3

InChI Key

YZWRNSARCRTXDS-UHFFFAOYSA-N

Formula

C12H20O6

SMILES

CCC(=O)OCC(COC(=O)CC)OC(=O)CC

Molecular Weight¹

260.28

CAS

139-45-7

Other Names

• Tripropionin
• Propionin, tri-
• Glycerine tripropionate
• Glycerol tripropionate
• Glyceryl tripropionate
• Tripropionine
• 1,2,3-Propanetriol, tripropionate
• 1,2,3-Propanetriol, 1,2,3-tripropanoate
• NSC 36744
• Tripropionylglycerol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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.
• 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	0.7681		Relay (1.0) Calculated Property
ΔfG°	-654.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1229.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.67	kJ/mol	Joback Calculated Property
ΔvapH°	[91.36; 91.40]	kJ/mol
ΔvapH°	91.36 ± 0.40	kJ/mol	NIST
ΔvapH°	91.40 ± 0.40	kJ/mol	NIST
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	1.215		Crippen Calculated Property
McVol	202.260	ml/mol	McGowan Calculated Property
Pc	2021.76	kPa	Joback Calculated Property
Inp	[1546.00; 1571.00]
Inp	1571.00		NIST
Inp	1569.00		NIST
Inp	1567.00		NIST
Inp	1565.00		NIST
Inp	Outlier 1546.00		NIST
Inp	1571.00		NIST
Tboil	547.24	K	Relay (1.0) Calculated Property
Tc	707.80	K	Relay (1.0) Calculated Property
Tfus	265.30	K	Relay (1.0) Calculated Property
Vc	0.775	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[563.41; 633.36]	J/mol×K	[702.39; 889.54]
Cp,gas	563.41	J/mol×K	702.39	Joback Calculated Property
Cp,gas	576.94	J/mol×K	733.58	Joback Calculated Property
Cp,gas	589.73	J/mol×K	764.77	Joback Calculated Property
Cp,gas	601.78	J/mol×K	795.96	Joback Calculated Property
Cp,gas	613.08	J/mol×K	827.15	Joback Calculated Property
Cp,gas	623.61	J/mol×K	858.34	Joback Calculated Property
Cp,gas	633.36	J/mol×K	889.54	Joback Calculated Property
Cp,liquid	481.30	J/mol×K	298.15	NIST
η	[0.0001077; 0.0011632]	Pa×s	[426.48; 702.39]
η	0.0011632	Pa×s	426.48	Joback Calculated Property
η	0.0006451	Pa×s	472.47	Joback Calculated Property
η	0.0003972	Pa×s	518.45	Joback Calculated Property
η	0.0002647	Pa×s	564.43	Joback Calculated Property
η	0.0001875	Pa×s	610.42	Joback Calculated Property
η	0.0001394	Pa×s	656.40	Joback Calculated Property
η	0.0001077	Pa×s	702.39	Joback Calculated Property

Similar Compounds

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.