Chemical Properties of 1,3-Dioxolane, 2-(1-methylpropyl)- (CAS 14447-25-7)

InChI

InChI=1S/C7H14O2/c1-3-6(2)7-8-4-5-9-7/h6-7H,3-5H2,1-2H3

InChI Key

FRBNVSJPLIGZIP-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCC(C)C1OCCO1

Molecular Weight¹

130.18

CAS

14447-25-7

Other Names

• 1,3-Dioxolane, 2-sec-butyl-

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.26	kJ/mol	Joback Calculated Property
logPoct/wat	1.405		Crippen Calculated Property
McVol	110.370	ml/mol	McGowan Calculated Property
Inp	[901.00; 908.00]
Inp	904.00		NIST
Inp	908.00		NIST
Inp	901.00		NIST
Tboil	421.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[155.16; 403.34]	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			-3.09990e+01
Coefficient B			8.00440e-01
Coefficient C			-4.59800e-04
Coefficient D			9.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.16	J/mol×K	273.00	Calculated Property
Cp,gas	198.78	J/mol×K	353.78	Calculated Property
Cp,gas	237.70	J/mol×K	434.56	Calculated Property
Cp,gas	272.21	J/mol×K	515.33	Calculated Property
Cp,gas	302.61	J/mol×K	596.11	Calculated Property
Cp,gas	329.20	J/mol×K	676.89	Calculated Property
Cp,gas	352.27	J/mol×K	757.67	Calculated Property
Cp,gas	372.12	J/mol×K	838.44	Calculated Property
Cp,gas	389.04	J/mol×K	919.22	Calculated Property
Cp,gas	403.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088142; 0.0003654]	Pa×s	[217.69; 439.83]	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			-1.10340e+01
Coefficient B			1.37202e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			217.69
Temperature range, max.			439.83
η	0.0088142	Pa×s	217.69	Calculated Property
η	0.0046391	Pa×s	242.37	Calculated Property
η	0.0027493	Pa×s	267.05	Calculated Property
η	0.0017801	Pa×s	291.74	Calculated Property
η	0.0012335	Pa×s	316.42	Calculated Property
η	0.0009013	Pa×s	341.10	Calculated Property
η	0.0006870	Pa×s	365.78	Calculated Property
η	0.0005420	Pa×s	390.46	Calculated Property
η	0.0004398	Pa×s	415.15	Calculated Property
η	0.0003654	Pa×s	439.83	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-(1-methylpropyl)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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