Chemical Properties of 3-Octanol (CAS 589-98-0)

InChI

InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChI Key

NMRPBPVERJPACX-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCCC(O)CC

Molecular Weight¹

130.23

CAS

589-98-0

Other Names

• Amylethylcarbinol
• D-n-Octanol
• Ethyl-n-amylcarbinol
• Octan-3-ol
• Octanol-3
• ethylamylcarbinol
• n-octan-3-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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	0.6330		Relay (1.0) Calculated Property
Cp,liquid	339.89	J/mol×K	Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	68.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	[-1.98; -1.98]
log10WS	-1.98		Aq. Solubility Prediction
log10WS	-1.98		Estimated Solubility
logPoct/wat	2.338		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Tboil	444.16	K	Relay (1.0) Calculated Property
Tc	627.88	K	Relay (1.0) Calculated Property
Tfus	235.40	K	Aq. Solubility Prediction
Vc	0.502	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.38; 451.27]	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			-7.75000e-01
Coefficient B			8.03740e-01
Coefficient C			-4.45000e-04
Coefficient D			9.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.38	J/mol×K	273.00	Calculated Property
Cp,gas	232.01	J/mol×K	353.78	Calculated Property
Cp,gas	272.12	J/mol×K	434.56	Calculated Property
Cp,gas	308.01	J/mol×K	515.33	Calculated Property
Cp,gas	339.98	J/mol×K	596.11	Calculated Property
Cp,gas	368.31	J/mol×K	676.89	Calculated Property
Cp,gas	393.32	J/mol×K	757.67	Calculated Property
Cp,gas	415.28	J/mol×K	838.44	Calculated Property
Cp,gas	434.50	J/mol×K	919.22	Calculated Property
Cp,gas	451.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0705608; 0.0002454]	Pa×s	[235.40; 446.16]	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			-1.46357e+01
Coefficient B			2.82113e+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.			235.40
Temperature range, max.			446.16
η	0.0705608	Pa×s	235.40	Calculated Property
η	0.0238587	Pa×s	258.82	Calculated Property
η	0.0096578	Pa×s	282.23	Calculated Property
η	0.0044904	Pa×s	305.65	Calculated Property
η	0.0023283	Pa×s	329.07	Calculated Property
η	0.0013173	Pa×s	352.49	Calculated Property
η	0.0008001	Pa×s	375.90	Calculated Property
η	0.0005152	Pa×s	399.32	Calculated Property
η	0.0003484	Pa×s	422.74	Calculated Property
η	0.0002454	Pa×s	446.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[342.20; 467.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68983e+01
Coefficient B			-4.80013e+03
Coefficient C			-5.32220e+01
Temperature range, min.			342.20
Temperature range, max.			467.50
Pvap	1.33	kPa	342.20	Calculated Property
Pvap	2.86	kPa	356.12	Calculated Property
Pvap	5.74	kPa	370.04	Calculated Property
Pvap	10.86	kPa	383.97	Calculated Property
Pvap	19.52	kPa	397.89	Calculated Property
Pvap	33.52	kPa	411.81	Calculated Property
Pvap	55.28	kPa	425.73	Calculated Property
Pvap	87.94	kPa	439.66	Calculated Property
Pvap	135.46	kPa	453.58	Calculated Property
Pvap	202.67	kPa	467.50	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Vapour pressures and heat capacity measurements on the C7 C9 secondary aliphatic alcohols
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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