Chemical Properties of 3-Methyloctanol (CAS 38514-02-2)

InChI

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

InChI Key

CLFSZAMBOZSCOS-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCCC(C)CCO

Molecular Weight¹

144.25

CAS

38514-02-2

Other Names

• 3-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	0.6820		Relay (1.0) Calculated Property
ΔfG°	-114.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-403.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.63	kJ/mol	Joback Calculated Property
ΔvapH°	70.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-2.98		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	[1135.00; 1135.00]
Inp	1135.00		NIST
Inp	1135.00		NIST
Tboil	476.94	K	Relay (1.0) Calculated Property
Tc	661.51	K	Relay (1.0) Calculated Property
Tfus	223.82	K	Relay (1.0) Calculated Property
Vc	0.516	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	[1.33; 202.62]	kPa	[365.40; 488.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72143e+01
Coefficient B			-4.95540e+03
Coefficient C			-7.26440e+01
Temperature range, min.			365.40
Temperature range, max.			488.96
Pvap	1.33	kPa	365.40	Calculated Property
Pvap	2.85	kPa	379.13	Calculated Property
Pvap	5.69	kPa	392.86	Calculated Property
Pvap	10.75	kPa	406.59	Calculated Property
Pvap	19.32	kPa	420.32	Calculated Property
Pvap	33.20	kPa	434.04	Calculated Property
Pvap	54.84	kPa	447.77	Calculated Property
Pvap	87.43	kPa	461.50	Calculated Property
Pvap	135.02	kPa	475.23	Calculated Property
Pvap	202.62	kPa	488.96	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyloctanol.

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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