Chemical Properties of 6-Methyloctanal (CAS 30689-75-9)

InChI

InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h8-9H,3-7H2,1-2H3

InChI Key

ANZKSSJWPUCGOP-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CCC(C)CCCCC=O

Molecular Weight¹

142.24

CAS

30689-75-9

Other Names

• Octanal, 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).
• P_vap : Vapor 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	0.4924		Relay (1.0) Calculated Property
ΔfG°	-77.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-344.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.83	kJ/mol	Joback Calculated Property
ΔvapH°	51.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-2.96		Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	139.240	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	Joback Calculated Property
Inp	1058.00		NIST
I	[1357.00; 1358.00]
I	1358.00		NIST
I	1357.00		NIST
Tboil	457.76	K	Relay (1.0) Calculated Property
Tc	644.31	K	Relay (1.0) Calculated Property
Tfus	227.27	K	Relay (1.0) Calculated Property
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[298.73; 371.96]	J/mol×K	[453.54; 626.89]
Cp,gas	298.73	J/mol×K	453.54	Joback Calculated Property
Cp,gas	312.25	J/mol×K	482.43	Joback Calculated Property
Cp,gas	325.23	J/mol×K	511.32	Joback Calculated Property
Cp,gas	337.68	J/mol×K	540.22	Joback Calculated Property
Cp,gas	349.61	J/mol×K	569.11	Joback Calculated Property
Cp,gas	361.03	J/mol×K	598.00	Joback Calculated Property
Cp,gas	371.96	J/mol×K	626.89	Joback Calculated Property
η	[0.0002909; 0.0079029]	Pa×s	[218.19; 453.54]
η	0.0079029	Pa×s	218.19	Joback Calculated Property
η	0.0029971	Pa×s	257.42	Joback Calculated Property
η	0.0014688	Pa×s	296.64	Joback Calculated Property
η	0.0008503	Pa×s	335.87	Joback Calculated Property
η	0.0005519	Pa×s	375.09	Joback Calculated Property
η	0.0003888	Pa×s	414.31	Joback Calculated Property
η	0.0002909	Pa×s	453.54	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[347.48; 490.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50903e+01
Coefficient B			-4.13479e+03
Coefficient C			-6.81540e+01
Temperature range, min.			347.48
Temperature range, max.			490.98
Pvap	1.33	kPa	347.48	Calculated Property
Pvap	2.97	kPa	363.42	Calculated Property
Pvap	6.08	kPa	379.37	Calculated Property
Pvap	11.61	kPa	395.31	Calculated Property
Pvap	20.89	kPa	411.26	Calculated Property
Pvap	35.67	kPa	427.20	Calculated Property
Pvap	58.21	kPa	443.15	Calculated Property
Pvap	91.26	kPa	459.09	Calculated Property
Pvap	138.13	kPa	475.04	Calculated Property
Pvap	202.63	kPa	490.98	Calculated Property

Similar Compounds

Find more compounds similar to 6-Methyloctanal.

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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