Chemical Properties of 2-t-Butyl-5-propyl-[1,3]dioxolan-4-one (CAS 157733-17-0)

InChI

InChI=1S/C10H18O3/c1-5-6-7-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3

InChI Key

ILGODMRZDJWLOV-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

CCCC1OC(C(C)(C)C)OC1=O

Molecular Weight¹

186.25

CAS

157733-17-0

Other Names

• 2-tert-Butyl-5-propyl-(1,3)dioxolan-4-one

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.80	kJ/mol	Joback Calculated Property
logPoct/wat	2.101		Crippen Calculated Property
McVol	154.210	ml/mol	McGowan Calculated Property
Inp	[1432.00; 1432.00]
Inp	1432.00		NIST
Inp	1432.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[228.68; 550.73]	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			-3.22480e+01
Coefficient B			1.14628e+00
Coefficient C			-7.48300e-04
Coefficient D			1.85000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.68	J/mol×K	273.00	Calculated Property
Cp,gas	287.82	J/mol×K	353.78	Calculated Property
Cp,gas	339.75	J/mol×K	434.56	Calculated Property
Cp,gas	385.06	J/mol×K	515.33	Calculated Property
Cp,gas	424.34	J/mol×K	596.11	Calculated Property
Cp,gas	458.18	J/mol×K	676.89	Calculated Property
Cp,gas	487.15	J/mol×K	757.67	Calculated Property
Cp,gas	511.84	J/mol×K	838.44	Calculated Property
Cp,gas	532.84	J/mol×K	919.22	Calculated Property
Cp,gas	550.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034201; 0.0004853]	Pa×s	[287.48; 493.23]	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			-1.03589e+01
Coefficient B			1.34564e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			287.48
Temperature range, max.			493.23
η	0.0034201	Pa×s	287.48	Calculated Property
η	0.0024226	Pa×s	310.34	Calculated Property
η	0.0017992	Pa×s	333.20	Calculated Property
η	0.0013883	Pa×s	356.06	Calculated Property
η	0.0011053	Pa×s	378.92	Calculated Property
η	0.0009030	Pa×s	401.78	Calculated Property
η	0.0007541	Pa×s	424.64	Calculated Property
η	0.0006414	Pa×s	447.51	Calculated Property
η	0.0005542	Pa×s	470.37	Calculated Property
η	0.0004853	Pa×s	493.23	Calculated Property

Similar Compounds

Find more compounds similar to 2-t-Butyl-5-propyl-[1,3]dioxolan-4-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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