Chemical Properties of 1,3-Dioxolane, 2-ethyl-2-methyl- (CAS 126-39-6)

InChI

InChI=1S/C6H12O2/c1-3-6(2)7-4-5-8-6/h3-5H2,1-2H3

InChI Key

UPZFLZYXYGBAPL-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CCC1(C)OCCO1

Molecular Weight¹

116.16

CAS

126-39-6

Other Names

• 2-Butanone, cyclic ethylene acetal
• 2-Butanone, cyclic 1,2-ethanediyl acetal
• 2-Ethyl-2-methyldioxolane
• 2-Methyl-2-ethyldioxolane
• 2-Ethyl-2-methyl-1,3-dioxolane
• 2-Methyl-2-ethyl-1,3-dioxolane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-141.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-355.45	kJ/mol	Joback Calculated Property
ΔfusH°	14.89	kJ/mol	Joback Calculated Property
ΔvapH°	44.80 ± 0.30	kJ/mol	NIST
log10WS	-1.01		Crippen Calculated Property
logPoct/wat	1.159		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Pc	3970.51	kPa	Joback Calculated Property
Inp	[766.00; 779.00]
Inp	766.00		NIST
Inp	779.00		NIST
Inp	768.00		NIST
Inp	766.00		NIST
Tboil	[389.70; 391.20]	K
Tboil	389.70	K	NIST
Tboil	391.20	K	NIST
Tboil	391.05	K	NIST
Tc	612.10	K	Joback Calculated Property
Tfus	[191.15; 191.19]	K
Tfus	191.15	K	NIST
Tfus	191.19 ± 0.60	K	NIST
Vc	0.352	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.53; 265.44]	J/mol×K	[406.10; 612.10]
Cp,gas	195.53	J/mol×K	406.10	Joback Calculated Property
Cp,gas	209.42	J/mol×K	440.43	Joback Calculated Property
Cp,gas	222.29	J/mol×K	474.77	Joback Calculated Property
Cp,gas	234.24	J/mol×K	509.10	Joback Calculated Property
Cp,gas	245.35	J/mol×K	543.43	Joback Calculated Property
Cp,gas	255.72	J/mol×K	577.77	Joback Calculated Property
Cp,gas	265.44	J/mol×K	612.10	Joback Calculated Property
ΔvapH	43.10 ± 0.30	kJ/mol	293.50	NIST

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-ethyl-2-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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