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

• 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	0.6802		Relay (... Calculated Property
ΔfG°	-91.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-461.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.31	kJ/mol	Joback Calculated Property
ΔvapH°	82.04	kJ/mol	Relay (... Calculated Property
IE	8.55	eV	Relay (... Calculated Property
log10WS	-5.25		Relay (... Calculated Property
logPoct/wat	4.572		Crippen Calculated Property
McVol	218.130	ml/mol	McGowan Calculated Property
Pc	2197.95	kPa	Joback Calculated Property
Inp	[1960.00; 1960.00]
Inp	1960.00		NIST
Inp	1960.00		NIST
Tboil	555.55	K	Relay (... Calculated Property
Tc	859.52	K	Relay (... Calculated Property
Tfus	380.47	K	Relay (... Calculated Property
Vc	0.758	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[607.46; 684.22]	J/mol×K	[739.49; 970.22]
Cp,gas	607.46	J/mol×K	739.49	Joback Calculated Property
Cp,gas	622.04	J/mol×K	777.94	Joback Calculated Property
Cp,gas	635.70	J/mol×K	816.40	Joback Calculated Property
Cp,gas	648.61	J/mol×K	854.85	Joback Calculated Property
Cp,gas	660.90	J/mol×K	893.31	Joback Calculated Property
Cp,gas	672.72	J/mol×K	931.76	Joback Calculated Property
Cp,gas	684.22	J/mol×K	970.22	Joback Calculated Property
η	[0.0000091; 0.0002395]	Pa×s	[498.75; 739.49]
η	0.0002395	Pa×s	498.75	Joback Calculated Property
η	0.0001133	Pa×s	538.87	Joback Calculated Property
η	0.0000595	Pa×s	579.00	Joback Calculated Property
η	0.0000340	Pa×s	619.12	Joback Calculated Property
η	0.0000207	Pa×s	659.24	Joback Calculated Property
η	0.0000134	Pa×s	699.37	Joback Calculated Property
η	0.0000091	Pa×s	739.49	Joback 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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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