Chemical Properties of Propane, 2,2-dimethoxy- (CAS 77-76-9)

InChI

InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3

InChI Key

HEWZVZIVELJPQZ-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

COC(C)(C)OC

Molecular Weight¹

104.15

CAS

77-76-9

Other Names

• 2,2-dimethoxypropane
• 3,3-dimethyl-2,4-dioxapentane
• Acetone dimethyl ketal
• acetone, dimethyl acetal

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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).
• 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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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
ω	0.2973		Relay (1.0) Calculated Property
ΔfG°	-215.94	kJ/mol	Joback Calculated Property
ΔfH°gas	[-425.00; -421.90]	kJ/mol
ΔfH°gas	-425.00 ± 1.00	kJ/mol	NIST
ΔfH°gas	-424.31 ± 0.98	kJ/mol	NIST
ΔfH°gas	-421.90	kJ/mol	NIST
ΔfH°liquid	[-460.70; -457.06]	kJ/mol
ΔfH°liquid	-460.70 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-459.48 ± 0.64	kJ/mol	NIST
ΔfH°liquid	-457.06 ± 0.96	kJ/mol	NIST
ΔfusH°	3.67	kJ/mol	Joback Calculated Property
ΔvapH°	[29.40; 37.60]	kJ/mol
ΔvapH°	37.60 ± 0.40	kJ/mol	NIST
ΔvapH°	35.70	kJ/mol	NIST
ΔvapH°	35.27	kJ/mol	NIST
ΔvapH°	35.20	kJ/mol	NIST
ΔvapH°	29.40	kJ/mol	NIST
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-0.50		Relay (1.0) Calculated Property
logPoct/wat	1.015		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Inp	[615.00; 638.00]
Inp	615.00		NIST
Inp	616.00		NIST
Inp	620.00		NIST
Inp	627.00		NIST
Inp	638.00		NIST
Inp	615.00		NIST
Tboil	[353.00; 356.20]	K
Tboil	356.20	K	NIST
Tboil	353.00	K	NIST
Tc	510.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tfus	226.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.359	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[217.70; 218.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	217.70	J/mol×K	298.15	NIST
Cp,liquid	218.00	J/mol×K	298.15	NIST
ΔvapH	[33.40; 38.20]	kJ/mol	[286.50; 324.50]
ΔvapH	38.20 ± 0.40	kJ/mol	286.50	NIST
ΔvapH	35.30	kJ/mol	323.50	NIST
ΔvapH	33.40 ± 0.20	kJ/mol	324.50	NIST
n0	1.37800		293.15	Isothermal and Isobaric Vapor-Liquid Equilibria of the Ternary System of 2,2-Dimethoxypropane + Acetone + Methanol
γ	[0.02; 0.02]	N/m	[298.15; 313.15]
γ	0.02	N/m	298.15	Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
γ	0.02	N/m	308.15	Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
γ	0.02	N/m	313.15	Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.90; 315.75]	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			2.48700e+01
Coefficient B			4.78280e-01
Coefficient C			-1.98000e-04
Coefficient D			1.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.90	J/mol×K	273.00	Calculated Property
Cp,gas	169.76	J/mol×K	353.78	Calculated Property
Cp,gas	196.19	J/mol×K	434.56	Calculated Property
Cp,gas	220.21	J/mol×K	515.33	Calculated Property
Cp,gas	241.86	J/mol×K	596.11	Calculated Property
Cp,gas	261.18	J/mol×K	676.89	Calculated Property
Cp,gas	278.19	J/mol×K	757.67	Calculated Property
Cp,gas	292.94	J/mol×K	838.44	Calculated Property
Cp,gas	305.44	J/mol×K	919.22	Calculated Property
Cp,gas	315.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018376; 0.0002361]	Pa×s	[226.15; 357.00]	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			-1.18972e+01
Coefficient B			1.26596e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			226.15
Temperature range, max.			357.00
η	0.0018376	Pa×s	226.15	Calculated Property
η	0.0013104	Pa×s	240.69	Calculated Property
η	0.0009711	Pa×s	255.23	Calculated Property
η	0.0007433	Pa×s	269.77	Calculated Property
η	0.0005847	Pa×s	284.31	Calculated Property
η	0.0004708	Pa×s	298.84	Calculated Property
η	0.0003868	Pa×s	313.38	Calculated Property
η	0.0003234	Pa×s	327.92	Calculated Property
η	0.0002745	Pa×s	342.46	Calculated Property
η	0.0002361	Pa×s	357.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2,2-dimethoxy-.

Mixtures

• Propane, 2,2-dimethoxy- + 1,2,4-Trimethylbenzene
• Propane, 2,2-dimethoxy- + Mesitylene
• Propane, 2,2-dimethoxy- + Acetone + Methyl Alcohol

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isothermal and Isobaric Vapor-Liquid Equilibria of the Ternary System of 2,2-Dimethoxypropane + Acetone + Methanol
• Excess Molar Volumes and Surface Tensions of 1,2,4- Trimethylbenzene and 1,3,5- Trimethylbenzene with 1,1-Diethoxyethane and 2,2-Dimethoxypropane at (298.15, 308.15, and 313.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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