Chemical Properties of propan-2-yl propan-2-yloxycarbonyloxy carbonate (CAS 105-64-6)

InChI

InChI=1S/C8H14O6/c1-5(2)11-7(9)13-14-8(10)12-6(3)4/h5-6H,1-4H3

InChI Key

BWJUFXUULUEGMA-UHFFFAOYSA-N

Formula

C8H14O6

SMILES

CC(C)OC(=O)OOC(=O)OC(C)C

Molecular Weight¹

206.19

CAS

105-64-6

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.05; 486.35]	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			9.40700e+01
Coefficient B			5.39680e-01
Coefficient C			-6.60000e-06
Coefficient D			-1.40800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.05	J/mol×K	273.00	Calculated Property
Cp,gas	277.94	J/mol×K	353.78	Calculated Property
Cp,gas	315.79	J/mol×K	434.56	Calculated Property
Cp,gas	351.16	J/mol×K	515.33	Calculated Property
Cp,gas	383.61	J/mol×K	596.11	Calculated Property
Cp,gas	412.68	J/mol×K	676.89	Calculated Property
Cp,gas	437.94	J/mol×K	757.67	Calculated Property
Cp,gas	458.93	J/mol×K	838.44	Calculated Property
Cp,gas	475.22	J/mol×K	919.22	Calculated Property
Cp,gas	486.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043386; 0.0001468]	Pa×s	[283.15; 508.62]	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			-1.30792e+01
Coefficient B			2.16298e+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.			283.15
Temperature range, max.			508.62
η	0.0043386	Pa×s	283.15	Calculated Property
η	0.0023318	Pa×s	308.20	Calculated Property
η	0.0013758	Pa×s	333.25	Calculated Property
η	0.0008739	Pa×s	358.31	Calculated Property
η	0.0005891	Pa×s	383.36	Calculated Property
η	0.0004167	Pa×s	408.41	Calculated Property
η	0.0003068	Pa×s	433.46	Calculated Property
η	0.0002336	Pa×s	458.51	Calculated Property
η	0.0001830	Pa×s	483.57	Calculated Property
η	0.0001468	Pa×s	508.62	Calculated Property

Similar Compounds

Find more compounds similar to propan-2-yl propan-2-yloxycarbonyloxy carbonate.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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