Chemical Properties of 2H-Pyran, 3,4-dihydro- (CAS 110-87-2)

InChI

InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2

InChI Key

BUDQDWGNQVEFAC-UHFFFAOYSA-N

Formula

C5H8O

SMILES

C1=COCCC1

Molecular Weight¹

84.12

CAS

110-87-2

Other Names

• 1,2-Pyran, 3,4-dihydro-
• 2,3-Dihydro-4H-pyran
• 2,3-Dihydropyran
• 2H-3,4-Dihydropyran
• 3,4-Dihdro-2H-pyrane
• 3,4-Dihydro-2-pyran
• 3,4-Dihydro-2H-pyran
• 3,4-Dihydropyran
• 5,6-Dihydro-4H-pyran
• Dihydropyran
• NSC 57860
• Pyran, dihydro-
• «delta»2-Dihydropyran

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• IE : Ionization energy (eV).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	865.80	kJ/mol	NIST
BasG	833.40	kJ/mol	NIST
ΔcH°liquid	-2963.14 ± 0.80	kJ/mol	NIST
ΔfH°gas	-112.81 ± 0.90	kJ/mol	NIST
ΔfH°liquid	-147.73 ± 0.86	kJ/mol	NIST
ΔfusH°	8.67	kJ/mol	Joback Calculated Property
ΔvapH°	[34.90; 34.92]	kJ/mol
ΔvapH°	34.92 ± 0.04	kJ/mol	NIST
ΔvapH°	34.90	kJ/mol	NIST
IE	[8.34; 8.60]	eV
IE	8.35 ± 0.01	eV	NIST
IE	8.37 ± 0.02	eV	NIST
IE	8.35	eV	NIST
IE	8.34 ± 0.01	eV	NIST
IE	8.60	eV	NIST
logPoct/wat	1.310		Crippen Calculated Property
McVol	72.020	ml/mol	McGowan Calculated Property
Pc	4560.00 ± 50.66	kPa	NIST
Inp	[663.00; 748.00]
Inp	697.00		NIST
Inp	708.00		NIST
Inp	720.00		NIST
Inp	748.00		NIST
Inp	664.00		NIST
Inp	663.00		NIST
Inp	671.00		NIST
Inp	668.00		NIST
Inp	705.00		NIST
Inp	748.00		NIST
I	[982.00; 982.00]
I	982.00		NIST
I	982.00		NIST
Tboil	[358.85; 359.70]	K
Tboil	359.70	K	NIST
Tboil	359.00 ± 4.00	K	NIST
Tboil	359.00 ± 2.00	K	NIST
Tboil	358.85 ± 0.30	K	NIST
Tc	561.70 ± 0.83	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[82.05; 243.92]	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			-4.81000e+01
Coefficient B			5.68400e-01
Coefficient C			-3.57980e-04
Coefficient D			8.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	82.05	J/mol×K	273.00	Calculated Property
Cp,gas	111.80	J/mol×K	353.78	Calculated Property
Cp,gas	138.00	J/mol×K	434.56	Calculated Property
Cp,gas	160.91	J/mol×K	515.33	Calculated Property
Cp,gas	180.81	J/mol×K	596.11	Calculated Property
Cp,gas	197.93	J/mol×K	676.89	Calculated Property
Cp,gas	212.55	J/mol×K	757.67	Calculated Property
Cp,gas	224.91	J/mol×K	838.44	Calculated Property
Cp,gas	235.28	J/mol×K	919.22	Calculated Property
Cp,gas	243.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0102466; 0.0002601]	Pa×s	[185.06; 393.19]	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			-1.15208e+01
Coefficient B			1.28431e+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.			185.06
Temperature range, max.			393.19
η	0.0102466	Pa×s	185.06	Calculated Property
η	0.0047400	Pa×s	208.19	Calculated Property
η	0.0025581	Pa×s	231.31	Calculated Property
η	0.0015444	Pa×s	254.44	Calculated Property
η	0.0010142	Pa×s	277.56	Calculated Property
η	0.0007105	Pa×s	300.69	Calculated Property
η	0.0005237	Pa×s	323.81	Calculated Property
η	0.0004020	Pa×s	346.94	Calculated Property
η	0.0003190	Pa×s	370.06	Calculated Property
η	0.0002601	Pa×s	393.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.63]	kPa	[251.15; 384.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49683e+01
Coefficient B			-3.62279e+03
Coefficient C			-9.12000e+00
Temperature range, min.			251.15
Temperature range, max.			384.27
Pvap	1.00	kPa	251.15	Calculated Property
Pvap	2.37	kPa	265.94	Calculated Property
Pvap	5.10	kPa	280.73	Calculated Property
Pvap	10.17	kPa	295.52	Calculated Property
Pvap	18.92	kPa	310.31	Calculated Property
Pvap	33.22	kPa	325.11	Calculated Property
Pvap	55.47	kPa	339.90	Calculated Property
Pvap	88.65	kPa	354.69	Calculated Property
Pvap	136.32	kPa	369.48	Calculated Property
Pvap	202.63	kPa	384.27	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran, 3,4-dihydro-.

Sources

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

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