Chemical Properties of Hexanal, 4-methyl- (CAS 41065-97-8)

InChI

InChI=1S/C7H14O/c1-3-7(2)5-4-6-8/h6-7H,3-5H2,1-2H3

InChI Key

GIGNTOMJQYNUNL-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCC(C)CCC=O

Molecular Weight¹

114.19

CAS

41065-97-8

Other Names

• 4-methylhexanal

• 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).
• P_vap : Vapor 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	0.4051		Relay (1.0) Calculated Property
ΔfG°	-93.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.65	kJ/mol	Joback Calculated Property
ΔvapH°	42.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-1.71		Relay (1.0) Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Inp	[889.00; 889.00]
Inp	889.00		NIST
Inp	889.00		NIST
Tboil	415.36	K	Relay (1.0) Calculated Property
Tc	595.78	K	Relay (1.0) Calculated Property
Tfus	195.15	K	Relay (1.0) Calculated Property
Vc	0.387	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.97; 278.60]	J/mol×K	[407.78; 583.42]
Cp,gas	216.97	J/mol×K	407.78	Joback Calculated Property
Cp,gas	228.33	J/mol×K	437.05	Joback Calculated Property
Cp,gas	239.24	J/mol×K	466.33	Joback Calculated Property
Cp,gas	249.71	J/mol×K	495.60	Joback Calculated Property
Cp,gas	259.76	J/mol×K	524.87	Joback Calculated Property
Cp,gas	269.38	J/mol×K	554.14	Joback Calculated Property
Cp,gas	278.60	J/mol×K	583.42	Joback Calculated Property
η	[0.0003089; 0.0075086]	Pa×s	[195.65; 407.78]
η	0.0075086	Pa×s	195.65	Joback Calculated Property
η	0.0029368	Pa×s	231.00	Joback Calculated Property
η	0.0014738	Pa×s	266.36	Joback Calculated Property
η	0.0008693	Pa×s	301.72	Joback Calculated Property
η	0.0005728	Pa×s	337.07	Joback Calculated Property
η	0.0004085	Pa×s	372.42	Joback Calculated Property
η	0.0003089	Pa×s	407.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[313.48; 441.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53879e+01
Coefficient B			-3.88290e+03
Coefficient C			-5.63390e+01
Temperature range, min.			313.48
Temperature range, max.			441.68
Pvap	1.33	kPa	313.48	Calculated Property
Pvap	2.95	kPa	327.72	Calculated Property
Pvap	6.01	kPa	341.97	Calculated Property
Pvap	11.47	kPa	356.21	Calculated Property
Pvap	20.63	kPa	370.46	Calculated Property
Pvap	35.26	kPa	384.70	Calculated Property
Pvap	57.66	kPa	398.95	Calculated Property
Pvap	90.64	kPa	413.19	Calculated Property
Pvap	137.63	kPa	427.44	Calculated Property
Pvap	202.63	kPa	441.68	Calculated Property

Similar Compounds

Find more compounds similar to Hexanal, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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