Chemical Properties of 4-Methyl-nonanal (CAS 94088-30-9)

InChI

InChI=1S/C10H20O/c1-3-4-5-7-10(2)8-6-9-11/h9-10H,3-8H2,1-2H3

InChI Key

DHBWTBZYMOTKID-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CCCCCC(C)CCC=O

Molecular Weight¹

156.27

CAS

94088-30-9

Other Names

• 4-methylnonan-1-al

• 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.
• I : 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	0.5234		Relay (1.0) Calculated Property
ΔfG°	-68.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-356.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.42	kJ/mol	Joback Calculated Property
ΔvapH°	57.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-3.54		Relay (1.0) Calculated Property
logPoct/wat	3.182		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[1151.00; 1155.00]
Inp	1155.00		NIST
Inp	1151.00		NIST
Inp	1151.00		NIST
I	[1429.00; 1429.00]
I	1429.00		NIST
I	1429.00		NIST
Tboil	474.33	K	Relay (1.0) Calculated Property
Tc	658.92	K	Relay (1.0) Calculated Property
Tfus	219.71	K	Relay (1.0) Calculated Property
Vc	0.553	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[222.22; 526.56]	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			3.51600e+00
Coefficient B			9.34240e-01
Coefficient C			-5.16400e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	222.22	J/mol×K	273.00	Calculated Property
Cp,gas	274.06	J/mol×K	353.78	Calculated Property
Cp,gas	320.61	J/mol×K	434.56	Calculated Property
Cp,gas	362.22	J/mol×K	515.33	Calculated Property
Cp,gas	399.21	J/mol×K	596.11	Calculated Property
Cp,gas	431.92	J/mol×K	676.89	Calculated Property
Cp,gas	460.67	J/mol×K	757.67	Calculated Property
Cp,gas	485.81	J/mol×K	838.44	Calculated Property
Cp,gas	507.66	J/mol×K	919.22	Calculated Property
Cp,gas	526.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0078468; 0.0003210]	Pa×s	[229.46; 454.13]	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			-1.13084e+01
Coefficient B			1.48249e+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.			229.46
Temperature range, max.			454.13
η	0.0078468	Pa×s	229.46	Calculated Property
η	0.0041628	Pa×s	254.42	Calculated Property
η	0.0024733	Pa×s	279.39	Calculated Property
η	0.0016005	Pa×s	304.35	Calculated Property
η	0.0011064	Pa×s	329.31	Calculated Property
η	0.0008056	Pa×s	354.28	Calculated Property
η	0.0006117	Pa×s	379.24	Calculated Property
η	0.0004805	Pa×s	404.20	Calculated Property
η	0.0003882	Pa×s	429.17	Calculated Property
η	0.0003210	Pa×s	454.13	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-nonanal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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