Chemical Properties of Benzaldehyde, 2-hydroxy, 3-chloro, 5-(1,1,3,3-tetramethylbutyl)

InChI

InChI=1S/C15H21ClO2/c1-14(2,3)9-15(4,5)11-6-10(8-17)13(18)12(16)7-11/h6-8,18H,9H2,1-5H3

InChI Key

XYQFWHMZQAOIMD-UHFFFAOYSA-N

Formula

C15H21ClO2

SMILES

CC(C)(C)CC(C)(C)c1cc(Cl)c(O)c(C=O)c1

Molecular Weight¹

268.78

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.31	kJ/mol	Joback Calculated Property
logPoct/wat	4.572		Crippen Calculated Property
McVol	218.130	ml/mol	McGowan Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	555.55	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[303.82; 692.99]	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			-4.96290e+01
Coefficient B			1.61850e+00
Coefficient C			-1.30268e-03
Coefficient D			4.26800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.82	J/mol×K	273.00	Calculated Property
Cp,gas	378.82	J/mol×K	353.78	Calculated Property
Cp,gas	442.73	J/mol×K	434.56	Calculated Property
Cp,gas	496.90	J/mol×K	515.33	Calculated Property
Cp,gas	542.68	J/mol×K	596.11	Calculated Property
Cp,gas	581.42	J/mol×K	676.89	Calculated Property
Cp,gas	614.47	J/mol×K	757.67	Calculated Property
Cp,gas	643.19	J/mol×K	838.44	Calculated Property
Cp,gas	668.91	J/mol×K	919.22	Calculated Property
Cp,gas	692.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002395; 0.0000166]	Pa×s	[498.75; 679.34]	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			-1.83851e+01
Coefficient B			5.01155e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			498.75
Temperature range, max.			679.34
η	0.0002395	Pa×s	498.75	Calculated Property
η	0.0001624	Pa×s	518.82	Calculated Property
η	0.0001133	Pa×s	538.88	Calculated Property
η	0.0000812	Pa×s	558.95	Calculated Property
η	0.0000595	Pa×s	579.01	Calculated Property
η	0.0000445	Pa×s	599.08	Calculated Property
η	0.0000339	Pa×s	619.14	Calculated Property
η	0.0000263	Pa×s	639.21	Calculated Property
η	0.0000207	Pa×s	659.27	Calculated Property
η	0.0000166	Pa×s	679.34	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 2-hydroxy, 3-chloro, 5-(1,1,3,3-tetramethylbutyl).

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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