Chemical Properties of 1,2-Propanediol diformate (CAS 53818-14-7)

InChI

InChI=1S/C5H8O4/c1-5(9-4-7)2-8-3-6/h3-5H,2H2,1H3

InChI Key

DUYOHDPGXMPOKD-UHFFFAOYSA-N

Formula

C5H8O4

SMILES

CC(COC=O)OC=O

Molecular Weight¹

132.11

CAS

53818-14-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.88; 261.78]	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			6.66100e+00
Coefficient B			5.81320e-01
Coefficient C			-4.77000e-04
Coefficient D			1.50800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.88	J/mol×K	273.00	Calculated Property
Cp,gas	159.30	J/mol×K	353.78	Calculated Property
Cp,gas	181.58	J/mol×K	434.56	Calculated Property
Cp,gas	200.20	J/mol×K	515.33	Calculated Property
Cp,gas	215.63	J/mol×K	596.11	Calculated Property
Cp,gas	228.37	J/mol×K	676.89	Calculated Property
Cp,gas	238.87	J/mol×K	757.67	Calculated Property
Cp,gas	247.62	J/mol×K	838.44	Calculated Property
Cp,gas	255.10	J/mol×K	919.22	Calculated Property
Cp,gas	261.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020217; 0.0006341]	Pa×s	[248.51; 426.59]	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			-8.98133e+00
Coefficient B			6.90240e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.51
Temperature range, max.			426.59
η	0.0020217	Pa×s	248.51	Calculated Property
η	0.0016472	Pa×s	268.30	Calculated Property
η	0.0013804	Pa×s	288.08	Calculated Property
η	0.0011834	Pa×s	307.87	Calculated Property
η	0.0010336	Pa×s	327.65	Calculated Property
η	0.0009167	Pa×s	347.44	Calculated Property
η	0.0008237	Pa×s	367.23	Calculated Property
η	0.0007482	Pa×s	387.01	Calculated Property
η	0.0006860	Pa×s	406.80	Calculated Property
η	0.0006341	Pa×s	426.59	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Propanediol diformate.

Sources

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

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