Chemical Properties of 2-Chloro-3-(3-chloro-tetrahydro-furan-2-yl)-propan-1-ol

InChI

InChI=1S/C7H12Cl2O2/c8-5(4-10)3-7-6(9)1-2-11-7/h5-7,10H,1-4H2

InChI Key

GNJRUHPEAZWZFU-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

OCC(Cl)CC1OCCC1Cl

Molecular Weight¹

199.07

• 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°	25.83	kJ/mol	Joback Calculated Property
logPoct/wat	1.373		Crippen Calculated Property
McVol	134.850	ml/mol	McGowan Calculated Property
Inp	[1455.00; 1455.00]
Inp	1455.00		NIST
Inp	1455.00		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	[179.37; 425.69]	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			-1.13080e+01
Coefficient B			8.24500e-01
Coefficient C			-4.89500e-04
Coefficient D			1.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.37	J/mol×K	273.00	Calculated Property
Cp,gas	223.63	J/mol×K	353.78	Calculated Property
Cp,gas	262.92	J/mol×K	434.56	Calculated Property
Cp,gas	297.55	J/mol×K	515.33	Calculated Property
Cp,gas	327.85	J/mol×K	596.11	Calculated Property
Cp,gas	354.14	J/mol×K	676.89	Calculated Property
Cp,gas	376.75	J/mol×K	757.67	Calculated Property
Cp,gas	396.00	J/mol×K	838.44	Calculated Property
Cp,gas	412.20	J/mol×K	919.22	Calculated Property
Cp,gas	425.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0145881; 0.0002459]	Pa×s	[307.54; 534.18]	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			-1.38513e+01
Coefficient B			2.95969e+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.			307.54
Temperature range, max.			534.18
η	0.0145881	Pa×s	307.54	Calculated Property
η	0.0070414	Pa×s	332.72	Calculated Property
η	0.0037656	Pa×s	357.91	Calculated Property
η	0.0021865	Pa×s	383.09	Calculated Property
η	0.0013577	Pa×s	408.27	Calculated Property
η	0.0008910	Pa×s	433.45	Calculated Property
η	0.0006124	Pa×s	458.64	Calculated Property
η	0.0004377	Pa×s	483.82	Calculated Property
η	0.0003234	Pa×s	509.00	Calculated Property
η	0.0002459	Pa×s	534.18	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-3-(3-chloro-tetrahydro-furan-2-yl)-propan-1-ol.

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

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