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°	72.33	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
Tboil	484.55	K	Relay (1.0) Calculated Property
Tc	668.92	K	Relay (1.0) Calculated Property
Tfus	255.97	K	Relay (1.0) Calculated Property
Vc	0.529	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[334.58; 403.87]	J/mol×K	[497.06; 659.14]
Cp,gas	334.58	J/mol×K	497.06	Joback Calculated Property
Cp,gas	347.30	J/mol×K	524.07	Joback Calculated Property
Cp,gas	359.54	J/mol×K	551.09	Joback Calculated Property
Cp,gas	371.30	J/mol×K	578.10	Joback Calculated Property
Cp,gas	382.60	J/mol×K	605.11	Joback Calculated Property
Cp,gas	393.45	J/mol×K	632.13	Joback Calculated Property
Cp,gas	403.87	J/mol×K	659.14	Joback Calculated Property
η	[0.0001409; 0.0878509]	Pa×s	[237.01; 497.06]
η	0.0878509	Pa×s	237.01	Joback Calculated Property
η	0.0131188	Pa×s	280.35	Joback Calculated Property
η	0.0032599	Pa×s	323.69	Joback Calculated Property
η	0.0011254	Pa×s	367.03	Joback Calculated Property
η	0.0004864	Pa×s	410.38	Joback Calculated Property
η	0.0002468	Pa×s	453.72	Joback Calculated Property
η	0.0001409	Pa×s	497.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.15; 202.64]	kPa	[337.65; 487.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

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

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