Chemical Properties of 2-Propyltetrahydropyran (CAS 3857-17-8)

InChI

InChI=1S/C8H16O/c1-2-5-8-6-3-4-7-9-8/h8H,2-7H2,1H3

InChI Key

YHQBBDKFBJYMPJ-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CCCC1CCCCO1

Molecular Weight¹

128.21

CAS

3857-17-8

• 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).
• 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
ω	0.3283		Relay (1.0) Calculated Property
ΔfG°	-45.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-255.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.29	kJ/mol	Joback Calculated Property
ΔvapH°	47.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-1.64		Relay (1.0) Calculated Property
logPoct/wat	2.356		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	[911.00; 958.00]
Inp	958.00		NIST
Inp	911.00		NIST
Inp	958.00		NIST
Tboil	428.19	K	Relay (1.0) Calculated Property
Tc	631.52	K	Relay (1.0) Calculated Property
Tfus	193.40	K	Relay (1.0) Calculated Property
Vc	0.436	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.43; 436.65]	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			-5.26680e+01
Coefficient B			8.82920e-01
Coefficient C			-4.78500e-04
Coefficient D			8.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.43	J/mol×K	273.00	Calculated Property
Cp,gas	203.56	J/mol×K	353.78	Calculated Property
Cp,gas	247.62	J/mol×K	434.56	Calculated Property
Cp,gas	286.87	J/mol×K	515.33	Calculated Property
Cp,gas	321.60	J/mol×K	596.11	Calculated Property
Cp,gas	352.06	J/mol×K	676.89	Calculated Property
Cp,gas	378.53	J/mol×K	757.67	Calculated Property
Cp,gas	401.27	J/mol×K	838.44	Calculated Property
Cp,gas	420.56	J/mol×K	919.22	Calculated Property
Cp,gas	436.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0087057; 0.0002881]	Pa×s	[213.87; 441.15]	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			-1.13593e+01
Coefficient B			1.41486e+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.			213.87
Temperature range, max.			441.15
η	0.0087057	Pa×s	213.87	Calculated Property
η	0.0043289	Pa×s	239.12	Calculated Property
η	0.0024599	Pa×s	264.38	Calculated Property
η	0.0015427	Pa×s	289.63	Calculated Property
η	0.0010426	Pa×s	314.88	Calculated Property
η	0.0007469	Pa×s	340.14	Calculated Property
η	0.0005603	Pa×s	365.39	Calculated Property
η	0.0004362	Pa×s	390.64	Calculated Property
η	0.0003501	Pa×s	415.90	Calculated Property
η	0.0002881	Pa×s	441.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propyltetrahydropyran.

Sources

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

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