Chemical Properties of 2-Octanol (CAS 123-96-6)

InChI

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

InChI Key

SJWFXCIHNDVPSH-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCCCC(C)O

Molecular Weight¹

130.23

CAS

123-96-6

Other Names

• 1-Methyl-1-heptanol
• 1-Methylheptanol
• 1-Methylheptyl alcohol
• 2-Hydroxy-n-octane
• 2-Hydroxyoctane
• 2-Octanol, (.+/-.)-
• 2-Octyl alcohol
• Capryl alcohol
• Hexylmethylcarbinol
• Methylhexylcarbinol
• NSC 14759
• Octan-2-ol
• Octanol-2
• methylheptanol
• n-Octan-2-ol
• s-Octyl alcohol
• sec-Caprylic alcohol
• sec-Octyl alcohol
• «beta»-Octyl alcohol
• «beta»-Octyl alcohol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-365.96	kJ/mol	Joback Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	67.90 ± 0.30	kJ/mol	NIST
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	2.338		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	[2727.00; 2900.00]	kPa
Pc	2750.00 ± 50.00	kPa	NIST
Pc	2780.00 ± 50.00	kPa	NIST
Pc	2900.00 ± 200.00	kPa	NIST
Pc	2727.00 ± 0.02	kPa	NIST
Pc	2727.00 ± 20.00	kPa	NIST
ρc	[251.34; 251.34]	kg/m3
ρc	251.34 ± 6.51	kg/m3	NIST
ρc	251.34 ± 6.51	kg/m3	NIST
Inp	[161.85; 1018.00]
Inp	977.00		NIST
Inp	976.70		NIST
Inp	966.00		NIST
Inp	979.00		NIST
Inp	990.00		NIST
Inp	990.00		NIST
Inp	997.00		NIST
Inp	1009.00		NIST
Inp	1011.00		NIST
Inp	1012.00		NIST
Inp	1014.00		NIST
Inp	962.00		NIST
Inp	998.00		NIST
Inp	985.00		NIST
Inp	997.00		NIST
Inp	995.00		NIST
Inp	1002.00		NIST
Inp	1002.00		NIST
Inp	1002.00		NIST
Inp	1004.00		NIST
Inp	998.00		NIST
Inp	990.00		NIST
Inp	1002.00		NIST
Inp	1010.00		NIST
Inp	995.00		NIST
Inp	984.00		NIST
Inp	990.00		NIST
Inp	992.00		NIST
Inp	987.00		NIST
Inp	988.00		NIST
Inp	983.00		NIST
Inp	982.00		NIST
Inp	988.00		NIST
Inp	994.00		NIST
Inp	1002.00		NIST
Inp	990.00		NIST
Inp	990.00		NIST
Inp	1013.00		NIST
Inp	1011.00		NIST
Inp	1003.00		NIST
Inp	982.00		NIST
Inp	1004.00		NIST
Inp	983.00		NIST
Inp	1018.00		NIST
Inp	984.00		NIST
Inp	984.00		NIST
Inp	Outlier 161.85		NIST
Inp	995.00		NIST
Inp	998.00		NIST
Inp	984.00		NIST
Inp	983.00		NIST
Inp	Outlier 161.85		NIST
Inp	1012.00		NIST
I	[1380.00; 1430.00]
I	1385.00		NIST
I	1385.00		NIST
I	1411.00		NIST
I	1384.00		NIST
I	1405.00		NIST
I	1422.00		NIST
I	1423.00		NIST
I	1430.00		NIST
I	1420.00		NIST
I	1416.00		NIST
I	1398.00		NIST
I	1394.00		NIST
I	1412.00		NIST
I	1421.00		NIST
I	1421.00		NIST
I	1430.00		NIST
I	1409.00		NIST
I	1412.00		NIST
I	1399.00		NIST
I	1418.00		NIST
I	1421.00		NIST
I	1380.00		NIST
I	1385.00		NIST
I	1396.00		NIST
I	1421.00		NIST
I	1430.00		NIST
I	1398.00		NIST
I	1398.00		NIST
I	1390.00		NIST
I	1384.00		NIST
I	1418.00		NIST
I	1422.00		NIST
Tboil	474.18	K	Joback Calculated Property
Tc	[629.00; 638.00]	K
Tc	629.60 ± 0.50	K	NIST
Tc	630.20 ± 0.80	K	NIST
Tc	638.00 ± 3.00	K	NIST
Tc	629.00 ± 0.60	K	NIST
Tc	629.00 ± 0.60	K	NIST
Tc	629.40	K	NIST
Tc	629.70 ± 0.30	K	NIST
Tc	637.30	K	NIST
Tfus	225.74	K	Joback Calculated Property
Vc	0.519	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.23; 354.79]	J/mol×K	[474.18; 637.10]
Cp,gas	290.23	J/mol×K	474.18	Joback Calculated Property
Cp,gas	302.08	J/mol×K	501.33	Joback Calculated Property
Cp,gas	313.47	J/mol×K	528.49	Joback Calculated Property
Cp,gas	324.43	J/mol×K	555.64	Joback Calculated Property
Cp,gas	334.96	J/mol×K	582.79	Joback Calculated Property
Cp,gas	345.08	J/mol×K	609.94	Joback Calculated Property
Cp,gas	354.79	J/mol×K	637.10	Joback Calculated Property
Cp,liquid	330.10	J/mol×K	298.50	NIST
η	[0.0001689; 0.1178389]	Pa×s	[225.74; 474.18]
η	0.1178389	Pa×s	225.74	Joback Calculated Property
η	0.0169844	Pa×s	267.15	Joback Calculated Property
η	0.0041171	Pa×s	308.55	Joback Calculated Property
η	0.0013956	Pa×s	349.96	Joback Calculated Property
η	0.0005948	Pa×s	391.37	Joback Calculated Property
η	0.0002984	Pa×s	432.77	Joback Calculated Property
η	0.0001689	Pa×s	474.18	Joback Calculated Property
ΔvapH	[56.10; 70.70]	kJ/mol	[303.00; 410.00]
ΔvapH	70.70	kJ/mol	303.00	NIST
ΔvapH	60.70	kJ/mol	393.00	NIST
ΔvapH	60.00	kJ/mol	399.00	NIST
ΔvapH	56.10	kJ/mol	410.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.03e-05; 2569.13]	kPa	[241.55; 637.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.02089e+02
Coefficient B			-1.56587e+04
Coefficient C			-2.70414e+01
Coefficient D			1.21802e-05
Temperature range, min.			241.55
Temperature range, max.			637.15
Pvap	3.03e-05	kPa	241.55	Calculated Property
Pvap	9.44e-03	kPa	285.51	Calculated Property
Pvap	0.41	kPa	329.46	Calculated Property
Pvap	5.45	kPa	373.42	Calculated Property
Pvap	34.00	kPa	417.37	Calculated Property
Pvap	129.53	kPa	461.33	Calculated Property
Pvap	355.35	kPa	505.28	Calculated Property
Pvap	782.26	kPa	549.24	Calculated Property
Pvap	1487.01	kPa	593.19	Calculated Property
Pvap	2569.13	kPa	637.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Octanol.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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