Chemical Properties of 1,3-Propanediol, 2-methyl-, diacetate

InChI

InChI=1S/C8H14O4/c1-6(4-11-7(2)9)5-12-8(3)10/h6H,4-5H2,1-3H3

InChI Key

ODKLKBUOGOLEJW-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

CC(=O)OCC(C)COC(C)=O

Molecular Weight¹

174.20

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.55; 448.81]	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			4.47520e+01
Coefficient B			6.60160e-01
Coefficient C			-2.25400e-04
Coefficient D			-3.07000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.55	J/mol×K	273.00	Calculated Property
Cp,gas	248.73	J/mol×K	353.78	Calculated Property
Cp,gas	286.54	J/mol×K	434.56	Calculated Property
Cp,gas	320.89	J/mol×K	515.33	Calculated Property
Cp,gas	351.68	J/mol×K	596.11	Calculated Property
Cp,gas	378.81	J/mol×K	676.89	Calculated Property
Cp,gas	402.19	J/mol×K	757.67	Calculated Property
Cp,gas	421.71	J/mol×K	838.44	Calculated Property
Cp,gas	437.28	J/mol×K	919.22	Calculated Property
Cp,gas	448.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0081868; 0.0002265]	Pa×s	[249.58; 476.31]	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			-1.23418e+01
Coefficient B			1.88098e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			249.58
Temperature range, max.			476.31
η	0.0081868	Pa×s	249.58	Calculated Property
η	0.0041023	Pa×s	274.77	Calculated Property
η	0.0023086	Pa×s	299.96	Calculated Property
η	0.0014202	Pa×s	325.16	Calculated Property
η	0.0009369	Pa×s	350.35	Calculated Property
η	0.0006536	Pa×s	375.54	Calculated Property
η	0.0004770	Pa×s	400.73	Calculated Property
η	0.0003614	Pa×s	425.92	Calculated Property
η	0.0002824	Pa×s	451.11	Calculated Property
η	0.0002265	Pa×s	476.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2-methyl-, diacetate.

Sources

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

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