Chemical Properties of 7-Methyloctan-1-ol (CAS 2430-22-0)

InChI

InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3

InChI Key

QDTDKYHPHANITQ-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CC(C)CCCCCCO

Molecular Weight¹

144.25

CAS

2430-22-0

Other Names

• 1-Octanol, 7-methyl-
• 7-methyl-1-octanol

• 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	0.7118		Relay (1.0) Calculated Property
ΔfG°	-114.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.63	kJ/mol	Joback Calculated Property
ΔvapH°	74.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-3.04		Relay (1.0) Calculated Property
logPoct/wat	2.585		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[1138.00; 1144.00]
Inp	1138.00		NIST
Inp	1140.00		NIST
Inp	1144.00		NIST
Inp	1144.00		NIST
Tboil	484.55	K	Relay (1.0) Calculated Property
Tc	670.81	K	Relay (1.0) Calculated Property
Tfus	337.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.531	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.59; 502.86]	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			-1.68400e+00
Coefficient B			8.98740e-01
Coefficient C			-4.99400e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.59	J/mol×K	273.00	Calculated Property
Cp,gas	258.42	J/mol×K	353.78	Calculated Property
Cp,gas	303.20	J/mol×K	434.56	Calculated Property
Cp,gas	343.24	J/mol×K	515.33	Calculated Property
Cp,gas	378.89	J/mol×K	596.11	Calculated Property
Cp,gas	410.48	J/mol×K	676.89	Calculated Property
Cp,gas	438.33	J/mol×K	757.67	Calculated Property
Cp,gas	462.79	J/mol×K	838.44	Calculated Property
Cp,gas	484.19	J/mol×K	919.22	Calculated Property
Cp,gas	502.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022466; 0.0002212]	Pa×s	[337.65; 461.58]	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			-1.47324e+01
Coefficient B			2.91529e+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.			337.65
Temperature range, max.			461.58
η	0.0022466	Pa×s	337.65	Calculated Property
η	0.0016017	Pa×s	351.42	Calculated Property
η	0.0011715	Pa×s	365.19	Calculated Property
η	0.0008765	Pa×s	378.96	Calculated Property
η	0.0006693	Pa×s	392.73	Calculated Property
η	0.0005205	Pa×s	406.50	Calculated Property
η	0.0004115	Pa×s	420.27	Calculated Property
η	0.0003302	Pa×s	434.04	Calculated Property
η	0.0002686	Pa×s	447.81	Calculated Property
η	0.0002212	Pa×s	461.58	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.15; 202.64]	kPa	[337.65; 487.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.80069e+01
Coefficient B			-5.24432e+03
Coefficient C			-7.43540e+01
Temperature range, min.			337.65
Temperature range, max.			487.44
Pvap	0.15	kPa	337.65	Calculated Property
Pvap	0.48	kPa	354.29	Calculated Property
Pvap	1.38	kPa	370.94	Calculated Property
Pvap	3.54	kPa	387.58	Calculated Property
Pvap	8.24	kPa	404.22	Calculated Property
Pvap	17.68	kPa	420.87	Calculated Property
Pvap	35.37	kPa	437.51	Calculated Property
Pvap	66.60	kPa	454.15	Calculated Property
Pvap	118.92	kPa	470.80	Calculated Property
Pvap	202.64	kPa	487.44	Calculated Property

Similar Compounds

Find more compounds similar to 7-Methyloctan-1-ol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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