Chemical Properties of 1-Octanol (CAS 111-87-5)

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InChI

InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI Key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCCCCCCO

Molecular Weight¹

130.23

CAS

111-87-5

Other Names

• 1-Hydroxyoctane
• 1-Octyl alcohol
• Alcohol C-8
• Alfol 8
• Caprylic alcohol
• Dytol M-83
• Emery 3322
• Emery 3324
• Epal 8
• Heptyl carbinol
• Lorol 20
• Lorol C 8-98
• NSC 9823
• Octan-1-ol
• Octanol
• Octanol-(1)
• Octilin
• Octyl alcohol
• Octyl alcohol, normal-primary
• Prim-n-octyl alcohol
• Primary octyl alcohol
• Sipol L8
• n-Heptyl carbinol
• n-Octan-1-ol
• n-Octanol
• n-Octyl alcohol

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH: Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH°: Enthalpy of sublimation 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).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical 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/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	799.00	kJ/mol	NIST
ΔcH°liquid	[-5295.50; -5285.60]	kJ/mol
ΔcH°liquid	-5294.00 ± 0.60	kJ/mol	NIST
ΔcH°liquid	-5295.50 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-5285.70 ± 2.70	kJ/mol	NIST
ΔcH°liquid	-5285.60	kJ/mol	NIST
ΔfG°	-120.34	kJ/mol	Joback Calculated Property
ΔfH°gas	[-362.20; -354.10]	kJ/mol
ΔfH°gas	-355.50	kJ/mol	NIST
ΔfH°gas	-355.60 ± 0.70	kJ/mol	NIST
ΔfH°gas	-356.90 ± 1.30	kJ/mol	NIST
ΔfH°gas	-354.10	kJ/mol	NIST
ΔfH°gas	-354.20 ± 1.20	kJ/mol	NIST
ΔfH°gas	Outlier -362.20 ± 3.10	kJ/mol	NIST
ΔfH°liquid	[-435.00; -425.20]	kJ/mol
ΔfH°liquid	-426.60 ± 0.60	kJ/mol	NIST
ΔfH°liquid	-428.00 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-425.20 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-435.00 ± 2.70	kJ/mol	NIST
ΔfusH°	20.56	kJ/mol	Joback Calculated Property
ΔsubH°	100.40	kJ/mol	NIST
ΔvapH°	[69.30; 72.80]	kJ/mol
ΔvapH°	70.98	kJ/mol	NIST
ΔvapH°	69.30	kJ/mol	NIST
ΔvapH°	70.10	kJ/mol	NIST
ΔvapH°	71.60	kJ/mol	NIST
ΔvapH°	70.98 ± 0.42	kJ/mol	NIST
ΔvapH°	71.00 ± 0.40	kJ/mol	NIST
ΔvapH°	71.10 ± 0.40	kJ/mol	NIST
ΔvapH°	71.10	kJ/mol	NIST
ΔvapH°	72.80 ± 1.70	kJ/mol	NIST
ΔvapH°	72.80	kJ/mol	NIST
logPoct/wat	2.34		Crippen Calculated Property
Pc	[1777.00; 2860.00]	kPa
Pc	2780.00 ± 30.00	kPa	NIST
Pc	2850.00 ± 50.00	kPa	NIST
Pc	Outlier 1777.00 ± 20.00	kPa	NIST
Pc	2777.00 ± 20.00	kPa	NIST
Pc	2860.00	kPa	NIST
Pc	2860.00	kPa	NIST
Tboil	[371.20; 469.20]	K
Tboil	Outlier 371.20	K	NIST
Tboil	467.85 ± 0.60	K	NIST
Tboil	469.20	K	NIST
Tboil	467.60	K	NIST
Tboil	468.35 ± 0.50	K	NIST
Tboil	468.15 ± 1.00	K	NIST
Tboil	468.00 ± 2.00	K	NIST
Tboil	468.15 ± 1.00	K	NIST
Tboil	468.15 ± 1.00	K	NIST
Tboil	467.35 ± 1.00	K	NIST
Tboil	468.15 ± 0.50	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tboil	466.35 ± 1.00	K	NIST
Tboil	467.65 ± 1.00	K	NIST
Tboil	467.75 ± 1.00	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tboil	468.43 ± 0.20	K	NIST
Tboil	469.15 ± 2.00	K	NIST
Tboil	467.65 ± 1.00	K	NIST
Tboil	468.35 ± 0.25	K	NIST
Tboil	468.15 ± 3.90	K	NIST
Tboil	467.65 ± 2.00	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tboil	467.65 ± 0.40	K	NIST
Tboil	467.85 ± 0.50	K	NIST
Tboil	467.60 ± 0.50	K	NIST
Tboil	469.15 ± 3.00	K	NIST
Tboil	468.30 ± 0.30	K	NIST
Tboil	468.30 ± 0.50	K	NIST
Tboil	468.30 ± 0.50	K	NIST
Tboil	468.30 ± 1.00	K	NIST
Tboil	467.20 ± 0.40	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tboil	452.65 ± 3.00	K	NIST
Tboil	468.65 ± 1.00	K	NIST
Tboil	469.05 ± 1.00	K	NIST
Tboil	467.30 ± 2.00	K	NIST
Tboil	451.65 ± 1.50	K	NIST
Tboil	468.40 ± 3.00	K	NIST
Tboil	468.65 ± 3.00	K	NIST
Tboil	468.65 ± 1.00	K	NIST
Tboil	464.15 ± 3.00	K	NIST
Tc	[650.56; 668.00]	K
Tc	652.50 ± 0.50	K	NIST
Tc	652.20 ± 0.80	K	NIST
Tc	652.40 ± 0.60	K	NIST
Tc	652.40 ± 0.60	K	NIST
Tc	652.60	K	NIST
Tc	650.56 ± 0.30	K	NIST
Tc	652.50	K	NIST
Tc	Outlier 668.00 ± 2.00	K	NIST
Tc	657.80	K	NIST
Tc	658.60	K	NIST
Tfus	[256.20; 258.35]	K
Tfus	258.35 ± 0.05	K	NIST
Tfus	258.03 ± 0.08	K	NIST
Tfus	256.20 ± 0.50	K	NIST
Tfus	256.25 ± 0.40	K	NIST
Tfus	256.40 ± 0.50	K	NIST
Tfus	256.90 ± 0.40	K	NIST
Vc	0.50	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	290.08	J/mol×K	474.62	Joback Calculated Property
Cp,liquid	[284.50; 329.50]	J/mol×K	[286.00; 310.67]
Cp,liquid	284.50	J/mol×K	286.0	NIST
Cp,liquid	312.10	J/mol×K	298.0	NIST
Cp,liquid	324.30	J/mol×K	298.0	NIST
Cp,liquid	304.00	J/mol×K	298.15	NIST
Cp,liquid	305.55	J/mol×K	298.15	NIST
Cp,liquid	329.50	J/mol×K	303.2	NIST
Cp,liquid	318.30	J/mol×K	310.67	NIST
η	0.00	Pa×s	474.62	Joback Calculated Property
ΔfusH	25.24	kJ/mol	258.4	NIST
ΔvapH	[47.80; 70.40]	kJ/mol	[267.00; 515.00]
ΔvapH	64.00 ± 1.00	kJ/mol	267.0	NIST
ΔvapH	64.00	kJ/mol	274.5	NIST
ΔvapH	69.60	kJ/mol	301.5	NIST
ΔvapH	68.70	kJ/mol	318.0	NIST
ΔvapH	70.40	kJ/mol	323.0	NIST
ΔvapH	67.30	kJ/mol	364.0	NIST
ΔvapH	61.60	kJ/mol	396.0	NIST
ΔvapH	67.50	kJ/mol	405.5	NIST
ΔvapH	65.00	kJ/mol	410.0	NIST
ΔvapH	56.60	kJ/mol	438.0	NIST
ΔvapH	52.50	kJ/mol	452.0	NIST
ΔvapH	47.80	kJ/mol	515.0	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	7
-CH3	1
-OH (alcohol)	1

Similar Compounds

Find more compounds similar to 1-Octanol.

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