Chemical Properties of 2H-Pyran, tetrahydro-2-methyl- (CAS 10141-72-7)

InChI

InChI=1S/C6H12O/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3

InChI Key

YBDQLHBVNXARAU-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC1CCCCO1

Molecular Weight¹

100.16

CAS

10141-72-7

Other Names

• Tetrahydro-2-methyl-2H-pyran
• Tetrahydro-2-methylpyran
• 2-Methyltetrahydropyran

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ΔfH°gas	-237.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.11	kJ/mol	Joback Calculated Property
ΔvapH°	37.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-0.35		Relay (1.0) Calculated Property
logPoct/wat	1.575		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
Inp	[751.00; 838.00]
Inp	838.00		NIST
Inp	751.00		NIST
Inp	838.00		NIST
Tboil	374.98	K	Relay (1.0) Calculated Property
Tc	576.02	K	Relay (1.0) Calculated Property
Tfus	172.71	K	Relay (1.0) Calculated Property
Vc	0.329	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.01; 333.47]	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			-5.08500e+01
Coefficient B			6.92920e-01
Coefficient C			-3.69700e-04
Coefficient D			6.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.01	J/mol×K	273.00	Calculated Property
Cp,gas	150.72	J/mol×K	353.78	Calculated Property
Cp,gas	185.46	J/mol×K	434.56	Calculated Property
Cp,gas	216.42	J/mol×K	515.33	Calculated Property
Cp,gas	243.78	J/mol×K	596.11	Calculated Property
Cp,gas	267.74	J/mol×K	676.89	Calculated Property
Cp,gas	288.50	J/mol×K	757.67	Calculated Property
Cp,gas	306.24	J/mol×K	838.44	Calculated Property
Cp,gas	321.17	J/mol×K	919.22	Calculated Property
Cp,gas	333.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082493; 0.0002666]	Pa×s	[191.33; 411.83]	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			-1.12082e+01
Coefficient B			1.22654e+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.			191.33
Temperature range, max.			411.83
η	0.0082493	Pa×s	191.33	Calculated Property
η	0.0039846	Pa×s	215.83	Calculated Property
η	0.0022325	Pa×s	240.33	Calculated Property
η	0.0013923	Pa×s	264.83	Calculated Property
η	0.0009406	Pa×s	289.33	Calculated Property
η	0.0006756	Pa×s	313.83	Calculated Property
η	0.0005091	Pa×s	338.33	Calculated Property
η	0.0003985	Pa×s	362.83	Calculated Property
η	0.0003218	Pa×s	387.33	Calculated Property
η	0.0002666	Pa×s	411.83	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran, tetrahydro-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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