Chemical Properties of Tetrahydrofuran, 2,2-dimethyl- (CAS 1003-17-4)

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7-6/h3-5H2,1-2H3

InChI Key

ZPDIRKNRUWXYLJ-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC1(C)CCCO1

Molecular Weight¹

100.16

CAS

1003-17-4

Other Names

• 2,2-Dimethyltetrahydrofuran

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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.

Physical Properties

Property	Value	Unit	Source
PAff	847.70	kJ/mol	NIST
BasG	818.50	kJ/mol	NIST
ΔfG°	-55.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-223.45	kJ/mol	Joback Calculated Property
ΔfusH°	6.91	kJ/mol	Joback Calculated Property
ΔvapH°	32.57	kJ/mol	Joback Calculated Property
log10WS	-1.43		Crippen Calculated Property
logPoct/wat	1.575		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	4015.93	kPa	Joback Calculated Property
Inp	[700.00; 700.00]
Inp	700.00		NIST
Inp	700.00		NIST
Tboil	[363.15; 370.00]	K
Tboil	363.15 ± 2.00	K	NIST
Tboil	364.15 ± 1.00	K	NIST
Tboil	365.40 ± 0.05	K	NIST
Tboil	364.65 ± 1.50	K	NIST
Tboil	370.00 ± 4.00	K	NIST
Tc	584.69	K	Joback Calculated Property
Tfus	158.69 ± 0.05	K	NIST
Vc	0.332	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.14; 239.15]	J/mol×K	[379.15; 584.69]
Cp,gas	166.14	J/mol×K	379.15	Joback Calculated Property
Cp,gas	180.73	J/mol×K	413.41	Joback Calculated Property
Cp,gas	194.23	J/mol×K	447.66	Joback Calculated Property
Cp,gas	206.73	J/mol×K	481.92	Joback Calculated Property
Cp,gas	218.32	J/mol×K	516.18	Joback Calculated Property
Cp,gas	229.09	J/mol×K	550.44	Joback Calculated Property
Cp,gas	239.15	J/mol×K	584.69	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[268.28; 388.95]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47025e+01
Coefficient B			-3.25146e+03
Coefficient C			-4.27170e+01
Temperature range, min.			268.28
Temperature range, max.			388.95
Pvap	1.33	kPa	268.28	Calculated Property
Pvap	2.99	kPa	281.69	Calculated Property
Pvap	6.17	kPa	295.10	Calculated Property
Pvap	11.81	kPa	308.50	Calculated Property
Pvap	21.26	kPa	321.91	Calculated Property
Pvap	36.24	kPa	335.32	Calculated Property
Pvap	58.98	kPa	348.73	Calculated Property
Pvap	92.13	kPa	362.13	Calculated Property
Pvap	138.83	kPa	375.54	Calculated Property
Pvap	202.66	kPa	388.95	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrofuran, 2,2-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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