Chemical Properties of 2,5-Dichlorobenzyl alcohol, neopentyl ether

InChI

InChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-6-10(13)4-5-11(9)14/h4-6H,7-8H2,1-3H3

InChI Key

DJHZBBUCEQQVIN-UHFFFAOYSA-N

Formula

C12H16Cl2O

SMILES

CC(C)(C)COCc1cc(Cl)ccc1Cl

Molecular Weight¹

247.16

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	22.27	kJ/mol	Joback Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.556		Crippen Calculated Property
McVol	186.530	ml/mol	McGowan Calculated Property
Inp	[1571.00; 1571.00]
Inp	1571.00		NIST
Inp	1571.00		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 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	[248.65; 550.32]	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			1.34820e+01
Coefficient B			1.02216e+00
Coefficient C			-6.27720e-04
Coefficient D			1.42400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.65	J/mol×K	273.00	Calculated Property
Cp,gas	302.84	J/mol×K	353.78	Calculated Property
Cp,gas	350.82	J/mol×K	434.56	Calculated Property
Cp,gas	393.02	J/mol×K	515.33	Calculated Property
Cp,gas	429.91	J/mol×K	596.11	Calculated Property
Cp,gas	461.93	J/mol×K	676.89	Calculated Property
Cp,gas	489.53	J/mol×K	757.67	Calculated Property
Cp,gas	513.16	J/mol×K	838.44	Calculated Property
Cp,gas	533.27	J/mol×K	919.22	Calculated Property
Cp,gas	550.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014004; 0.0001614]	Pa×s	[360.95; 578.03]	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			-1.23239e+01
Coefficient B			2.07653e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			360.95
Temperature range, max.			578.03
η	0.0014004	Pa×s	360.95	Calculated Property
η	0.0009767	Pa×s	385.07	Calculated Property
η	0.0007107	Pa×s	409.19	Calculated Property
η	0.0005358	Pa×s	433.31	Calculated Property
η	0.0004162	Pa×s	457.43	Calculated Property
η	0.0003315	Pa×s	481.55	Calculated Property
η	0.0002699	Pa×s	505.67	Calculated Property
η	0.0002239	Pa×s	529.79	Calculated Property
η	0.0001887	Pa×s	553.91	Calculated Property
η	0.0001614	Pa×s	578.03	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dichlorobenzyl alcohol, neopentyl ether.

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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