Chemical Properties of 1,3-Propanediol, 2,2-dimethyl-, diformate

InChI

InChI=1S/C7H12O4/c1-7(2,3-10-5-8)4-11-6-9/h5-6H,3-4H2,1-2H3

InChI Key

KDZSXEAXMYXVCU-UHFFFAOYSA-N

Formula

C7H12O4

SMILES

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

Molecular Weight¹

160.17

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.16; 365.89]	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			-1.79480e+01
Coefficient B			8.91240e-01
Coefficient C			-7.54400e-04
Coefficient D			2.47000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.16	J/mol×K	273.00	Calculated Property
Cp,gas	213.87	J/mol×K	353.78	Calculated Property
Cp,gas	247.15	J/mol×K	434.56	Calculated Property
Cp,gas	274.80	J/mol×K	515.33	Calculated Property
Cp,gas	297.58	J/mol×K	596.11	Calculated Property
Cp,gas	316.28	J/mol×K	676.89	Calculated Property
Cp,gas	331.68	J/mol×K	757.67	Calculated Property
Cp,gas	344.56	J/mol×K	838.44	Calculated Property
Cp,gas	355.70	J/mol×K	919.22	Calculated Property
Cp,gas	365.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029134; 0.0007221]	Pa×s	[288.47; 459.45]	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			-9.58677e+00
Coefficient B			1.08128e+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.			288.47
Temperature range, max.			459.45
η	0.0029134	Pa×s	288.47	Calculated Property
η	0.0023111	Pa×s	307.47	Calculated Property
η	0.0018834	Pa×s	326.47	Calculated Property
η	0.0015698	Pa×s	345.46	Calculated Property
η	0.0013334	Pa×s	364.46	Calculated Property
η	0.0011512	Pa×s	383.46	Calculated Property
η	0.0010077	Pa×s	402.46	Calculated Property
η	0.0008928	Pa×s	421.46	Calculated Property
η	0.0007992	Pa×s	440.45	Calculated Property
η	0.0007221	Pa×s	459.45	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2,2-dimethyl-, diformate.

Sources

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

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