Chemical Properties of 2H-Pyran, tetrahydro, 3-chloro-2-butoxy, # 1

InChI

InChI=1S/C9H17ClO2/c1-2-3-6-11-9-8(10)5-4-7-12-9/h8-9H,2-7H2,1H3

InChI Key

YVJCTCVZSCULEB-UHFFFAOYSA-N

Formula

C9H17ClO2

SMILES

CCCCOC1OCCCC1Cl

Molecular Weight¹

192.68

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.34	kJ/mol	Joback Calculated Property
logPoct/wat	2.547		Crippen Calculated Property
McVol	150.790	ml/mol	McGowan Calculated Property
Inp	[1275.00; 1275.00]
Inp	1275.00		NIST
Inp	1275.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[206.72; 521.67]	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			-9.24700e+00
Coefficient B			8.95020e-01
Coefficient C			-3.86900e-04
Coefficient D			2.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.72	J/mol×K	273.00	Calculated Property
Cp,gas	259.98	J/mol×K	353.78	Calculated Property
Cp,gas	308.50	J/mol×K	434.56	Calculated Property
Cp,gas	352.36	J/mol×K	515.33	Calculated Property
Cp,gas	391.63	J/mol×K	596.11	Calculated Property
Cp,gas	426.38	J/mol×K	676.89	Calculated Property
Cp,gas	456.69	J/mol×K	757.67	Calculated Property
Cp,gas	482.63	J/mol×K	838.44	Calculated Property
Cp,gas	504.27	J/mol×K	919.22	Calculated Property
Cp,gas	521.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036685; 0.0002819]	Pa×s	[273.05; 497.06]	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			-1.13019e+01
Coefficient B			1.55474e+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.			273.05
Temperature range, max.			497.06
η	0.0036685	Pa×s	273.05	Calculated Property
η	0.0022799	Pa×s	297.94	Calculated Property
η	0.0015247	Pa×s	322.83	Calculated Property
η	0.0010801	Pa×s	347.72	Calculated Property
η	0.0008012	Pa×s	372.61	Calculated Property
η	0.0006170	Pa×s	397.50	Calculated Property
η	0.0004900	Pa×s	422.39	Calculated Property
η	0.0003992	Pa×s	447.28	Calculated Property
η	0.0003324	Pa×s	472.17	Calculated Property
η	0.0002819	Pa×s	497.06	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran, tetrahydro, 3-chloro-2-butoxy, # 1.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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