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

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
ω	0.6471		Relay (1.0) Calculated Property
ΔfG°	-122.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.04	kJ/mol	Joback Calculated Property
ΔvapH°	67.90 ± 0.30	kJ/mol	NIST
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) 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	1012.00		NIST
Inp	Outlier 161.85		NIST
Inp	995.00		NIST
Inp	998.00		NIST
Inp	984.00		NIST
Inp	983.00		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	1422.00		NIST
I	1418.00		NIST
Tboil	[452.15; 453.55]	K
Tboil	453.05 ± 2.50	K	NIST
Tboil	453.55 ± 0.20	K	NIST
Tboil	452.20 ± 0.50	K	NIST
Tboil	452.20 ± 0.50	K	NIST
Tboil	452.20 ± 0.50	K	NIST
Tboil	452.15 ± 0.40	K	NIST
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	245.77	K	Relay (1.0) Calculated Property
Vc	0.519	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	330.10	J/mol×K	298.50	NIST
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
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	[0.1178389; 0.0002602]	Pa×s	[225.74; 442.07]	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
Temperature range, min.			225.74
Temperature range, max.			442.07
η	0.1178389	Pa×s	225.74	Calculated Property
η	0.0353991	Pa×s	249.78	Calculated Property
η	0.0131339	Pa×s	273.81	Calculated Property
η	0.0057187	Pa×s	297.85	Calculated Property
η	0.0028192	Pa×s	321.89	Calculated Property
η	0.0015334	Pa×s	345.92	Calculated Property
η	0.0009027	Pa×s	369.96	Calculated Property
η	0.0005669	Pa×s	393.99	Calculated Property
η	0.0003756	Pa×s	418.03	Calculated Property
η	0.0002602	Pa×s	442.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.03e-05; 2569.13]	kPa	[241.55; 637.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.02089e+02
Coefficient B			-1.56587e+04
Coefficient C			-2.70414e+01
Coefficient D			1.21802e-05
Coefficient E			0.00000e+00
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
Pvap	[7.61e-03; 1.82]	kPa	[283.00; 353.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.95005e+01
Coefficient B			-5.88759e+03
Coefficient C			-4.14970e+01
Reference			Geiseler, Fruwert, et al., 1966
Temperature range, min.			283.00
Temperature range, max.			353.00
Pvap	7.61e-03	kPa	283.00	Calculated Property
Pvap	0.02	kPa	290.78	Calculated Property
Pvap	0.03	kPa	298.56	Calculated Property
Pvap	0.07	kPa	306.33	Calculated Property
Pvap	0.12	kPa	314.11	Calculated Property
Pvap	0.22	kPa	321.89	Calculated Property
Pvap	0.39	kPa	329.67	Calculated Property
Pvap	0.67	kPa	337.44	Calculated Property
Pvap	1.12	kPa	345.22	Calculated Property
Pvap	1.82	kPa	353.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Octanol.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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