1,3-Dioxolane, 2,4-dimethyl- (CAS 3390-12-3)

InChI

InChI=1S/C5H10O2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3

InChI Key

ROSFUFIOLRQOON-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CC1COC(C)O1

Molecular Weight¹

102.13

CAS

3390-12-3

Other Names

1,3-Dioxolane, 2,4-dimethyl, cis
1,3-Dioxolane, 2,4-dimethyl, trans
2,4-dimethyl-1,3-dioxolane

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
η : Dynamic viscosity (Pa×s).
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).
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).
P_vap : Vapor 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.

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Physical Properties

Property	Value	Unit	Source
ω	0.2885		Relay (1.0) Calculated Property
Δ_fG°	-152.18	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-391.84	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	19.67	kJ/mol	Joback Calculated Property
Δ_vapH°	38.59	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log₁₀WS	-0.31		Relay (1.0) Calculated Property
logP_oct/wat	0.768		Crippen Calculated Property
McVol	82.190	ml/mol	McGowan Calculated Property
P_c	4062.13	kPa	Joback Calculated Property
I_np	[664.00; 683.00]
I_np	680.00		NIST
I_np	680.00		NIST
I_np	683.00		NIST
I_np	672.00		NIST
I_np	676.00		NIST
I_np	674.00		NIST
I_np	Outlier 664.00		NIST
I_np	674.00		NIST
T_boil	366.44	K	Relay (1.0) Calculated Property
T_c	536.45	K	Relay (1.0) Calculated Property
T_fus	203.66	K	Relay (1.0) Calculated Property
V_c	0.323	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[157.56; 222.50]	J/mol×K	[378.31; 576.19]

C_p,gas	157.56	J/mol×K	378.31	Joback Calculated Property
C_p,gas	169.66	J/mol×K	411.29	Joback Calculated Property
C_p,gas	181.23	J/mol×K	444.27	Joback Calculated Property
C_p,gas	192.30	J/mol×K	477.25	Joback Calculated Property
C_p,gas	202.86	J/mol×K	510.23	Joback Calculated Property
C_p,gas	212.92	J/mol×K	543.21	Joback Calculated Property
C_p,gas	222.50	J/mol×K	576.19	Joback Calculated Property
η	[0.0003931; 0.0028693]	Pa×s	[205.91; 378.31]

η	0.0028693	Pa×s	205.91	Joback Calculated Property
η	0.0016819	Pa×s	234.64	Joback Calculated Property
η	0.0011077	Pa×s	263.38	Joback Calculated Property
η	0.0007920	Pa×s	292.11	Joback Calculated Property
η	0.0006014	Pa×s	320.84	Joback Calculated Property
η	0.0004778	Pa×s	349.58	Joback Calculated Property
η	0.0003931	Pa×s	378.31	Joback Calculated Property
P_vap	[8.89; 99.46]	kPa	[298.00; 366.00]

P_vap	8.89	kPa	298.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	11.17	kPa	303.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	13.90	kPa	308.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	17.17	kPa	313.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	21.04	kPa	318.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	25.62	kPa	323.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	30.97	kPa	328.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	37.21	kPa	333.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	44.43	kPa	338.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	52.75	kPa	343.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	62.29	kPa	348.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	73.16	kPa	353.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	85.51	kPa	358.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	99.46	kPa	363.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water
P_vap	99.00	kPa	366.00	Vapor-Liquid-Liquid Equilibrium (VLLE) and Vapor Pressure Data for the Systems 2-Methyl-1,3-dioxolane (2MD) + Water and 2,4-Dimethyl-1,3-dioxolane (24DMD) + Water

Similar Compounds

1,3-Dioxolane, 2-(bromomethyl)-4-methyl-, trans-.

cis-2-Bromomethyl-4-methyl-1,3-dioxolane.

1,3-Dioxolane, 4-methyl-2-(1-methylethyl), cis.

trans-2-(mercaptomethyl)-4-methyl-1,3-dioxolane.

cis-2-(mercaptomethyl)-4-methyl-1,3-dioxolane.

cis-2-Tert-butyl-4-methyl-1,3-dioxolane.

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

Mixtures

Water + 1,3-Dioxolane, 2,4-dimethyl-

Sources

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

Chemical Properties of 1,3-Dioxolane, 2,4-dimethyl- (CAS 3390-12-3)

Physical Properties

Temperature Dependent Properties

Similar Compounds

Mixtures

Sources