Chemical Properties of 1,3-Dioxolane, 2,4,5-trimethyl- (CAS 3299-32-9)

InChI

InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3

InChI Key

HLEXJAVJCZLRTH-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC1OC(C)C(C)O1

Molecular Weight¹

116.16

CAS

3299-32-9

Other Names

• 2,4,5-Trimethyl-1,3-dioxolane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-431.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.33	kJ/mol	Joback Calculated Property
ΔvapH°	41.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
logPoct/wat	1.156		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Inp	[710.00; 752.00]
Inp	745.00		NIST
Inp	739.00		NIST
Inp	Outlier 710.00		NIST
Inp	735.00		NIST
Inp	745.00		NIST
Inp	752.00		NIST
Inp	739.00		NIST
Inp	745.00		NIST
Inp	735.00		NIST
I	[967.00; 1020.00]
I	967.00		NIST
I	1020.00		NIST
I	967.00		NIST
I	1020.00		NIST
Tboil	385.75	K	Relay (1.0) Calculated Property
Tc	552.14	K	Relay (1.0) Calculated Property
Tfus	242.52	K	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.73; 269.71]	J/mol×K	[396.72; 592.69]
Cp,gas	195.73	J/mol×K	396.72	Joback Calculated Property
Cp,gas	209.42	J/mol×K	429.38	Joback Calculated Property
Cp,gas	222.55	J/mol×K	462.04	Joback Calculated Property
Cp,gas	235.15	J/mol×K	494.71	Joback Calculated Property
Cp,gas	247.20	J/mol×K	527.37	Joback Calculated Property
Cp,gas	258.72	J/mol×K	560.03	Joback Calculated Property
Cp,gas	269.71	J/mol×K	592.69	Joback Calculated Property
η	[0.0003782; 0.0019113]	Pa×s	[212.94; 396.72]
η	0.0019113	Pa×s	212.94	Joback Calculated Property
η	0.0012312	Pa×s	243.57	Joback Calculated Property
η	0.0008750	Pa×s	274.20	Joback Calculated Property
η	0.0006660	Pa×s	304.83	Joback Calculated Property
η	0.0005329	Pa×s	335.46	Joback Calculated Property
η	0.0004426	Pa×s	366.09	Joback Calculated Property
η	0.0003782	Pa×s	396.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2,4,5-trimethyl-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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