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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.32; 354.88]	J/mol×K	[474.38; 637.36]
Cp,gas	290.32	J/mol×K	474.38	Joback Calculated Property
Cp,gas	302.17	J/mol×K	501.54	Joback Calculated Property
Cp,gas	313.57	J/mol×K	528.71	Joback Calculated Property
Cp,gas	324.52	J/mol×K	555.87	Joback Calculated Property
Cp,gas	335.06	J/mol×K	583.04	Joback Calculated Property
Cp,gas	345.17	J/mol×K	610.20	Joback Calculated Property
Cp,gas	354.88	J/mol×K	637.36	Joback Calculated Property
η	[0.0001685; 0.1178389]	Pa×s	[225.74; 474.38]
η	0.1178389	Pa×s	225.74	Joback Calculated Property
η	0.0169620	Pa×s	267.18	Joback Calculated Property
η	0.0041090	Pa×s	308.62	Joback Calculated Property
η	0.0013924	Pa×s	350.06	Joback Calculated Property
η	0.0005933	Pa×s	391.50	Joback Calculated Property
η	0.0002977	Pa×s	432.94	Joback Calculated Property
η	0.0001685	Pa×s	474.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[342.20; 467.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.