Chemical Properties of 1,3-Dioxane, 2,2-dimethyl- (CAS 695-30-7)

InChI

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

InChI Key

RPLSBADGISFNSI-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC1(C)OCCCO1

Molecular Weight¹

116.16

CAS

695-30-7

Other Names

• 2,2-Dimethyl-1,3-dioxane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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
ΔcH°liquid	-3607.20 ± 2.00	kJ/mol	NIST
ΔfG°	-153.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-361.61	kJ/mol	Joback Calculated Property
ΔfH°liquid	-468.90 ± 2.00	kJ/mol	NIST
ΔfusH°	12.79	kJ/mol	Joback Calculated Property
ΔvapH°	37.25	kJ/mol	Joback Calculated Property
IE	9.84	eV	NIST
log10WS	-1.01		Crippen Calculated Property
logPoct/wat	1.159		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Pc	4098.62	kPa	Joback Calculated Property
Inp	[796.00; 820.00]
Inp	796.00		NIST
Inp	820.00		NIST
Tboil	397.65 ± 1.50	K	NIST
Tc	625.18	K	Joback Calculated Property
Tfus	241.80	K	Joback Calculated Property
Vc	0.344	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.00; 268.70]	J/mol×K	[410.37; 625.18]
Cp,gas	194.00	J/mol×K	410.37	Joback Calculated Property
Cp,gas	208.82	J/mol×K	446.17	Joback Calculated Property
Cp,gas	222.56	J/mol×K	481.97	Joback Calculated Property
Cp,gas	235.32	J/mol×K	517.77	Joback Calculated Property
Cp,gas	247.20	J/mol×K	553.57	Joback Calculated Property
Cp,gas	258.29	J/mol×K	589.38	Joback Calculated Property
Cp,gas	268.70	J/mol×K	625.18	Joback Calculated Property
ΔfusH	12.10	kJ/mol	229.60	NIST

Similar Compounds

Find more compounds similar to 1,3-Dioxane, 2,2-dimethyl-.

Sources

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

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