Chemical Properties of 6-Methylheptanal (CAS 63885-09-6)

InChI

InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3

InChI Key

LCEHKIHBHIJPCD-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CC(C)CCCCC=O

Molecular Weight¹

128.21

CAS

63885-09-6

Other Names

• Heptanal, 6-methyl-

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.79; 423.37]	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			5.33400e+00
Coefficient B			7.44240e-01
Coefficient C			-4.07600e-04
Coefficient D			8.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.79	J/mol×K	273.00	Calculated Property
Cp,gas	221.22	J/mol×K	353.78	Calculated Property
Cp,gas	258.46	J/mol×K	434.56	Calculated Property
Cp,gas	291.76	J/mol×K	515.33	Calculated Property
Cp,gas	321.39	J/mol×K	596.11	Calculated Property
Cp,gas	347.59	J/mol×K	676.89	Calculated Property
Cp,gas	370.64	J/mol×K	757.67	Calculated Property
Cp,gas	390.78	J/mol×K	838.44	Calculated Property
Cp,gas	408.27	J/mol×K	919.22	Calculated Property
Cp,gas	423.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077983; 0.0003175]	Pa×s	[206.92; 423.85]	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			-1.11083e+01
Coefficient B			1.29417e+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.			206.92
Temperature range, max.			423.85
η	0.0077983	Pa×s	206.92	Calculated Property
η	0.0040607	Pa×s	231.02	Calculated Property
η	0.0023919	Pa×s	255.13	Calculated Property
η	0.0015438	Pa×s	279.23	Calculated Property
η	0.0010682	Pa×s	303.34	Calculated Property
η	0.0007803	Pa×s	327.44	Calculated Property
η	0.0005950	Pa×s	351.54	Calculated Property
η	0.0004698	Pa×s	375.65	Calculated Property
η	0.0003817	Pa×s	399.75	Calculated Property
η	0.0003175	Pa×s	423.85	Calculated Property

Similar Compounds

Find more compounds similar to 6-Methylheptanal.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.