Chemical Properties of 1-Pentanol (CAS 71-41-0)

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InChI

InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3

InChI Key

AMQJEAYHLZJPGS-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCCCCO

Molecular Weight¹

88.15

CAS

71-41-0

Other Names

• 1-Pentol
• 1-Pentyl alcohol
• Alcool amylique
• Amyl alcohol
• Amyl alcohol, n-
• Amyl alcohol, normal
• Amylol
• Butyl carbinol
• NSC 5707
• Pentan-1-ol
• Pentanol
• Pentanol-1
• Pentasol
• Pentyl alcohol
• Primary amyl alcohol
• Primary-N-amyl alcohol
• UN 1105
• n-Amyl alcohol
• n-Amylalkohol
• n-Butylcarbinol
• n-C5H11OH
• n-Pentan-1-ol
• n-Pentanol
• n-Pentyl 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_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	795.00	kJ/mol	NIST
ΔcH°liquid	[-3330.91; -3324.00]	kJ/mol
ΔcH°liquid	-3330.91 ± 0.28	kJ/mol	NIST
ΔcH°liquid	-3329.90 ± 0.67	kJ/mol	NIST
ΔcH°liquid	-3329.96 ± 0.64	kJ/mol	NIST
ΔcH°liquid	-3324.60 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-3324.00	kJ/mol	NIST
ΔfG°	-145.60	kJ/mol	Joback Calculated Property
ΔfH°gas	[-301.00; -294.70]	kJ/mol
ΔfH°gas	-294.70	kJ/mol	NIST
ΔfH°gas	-294.70 ± 0.30	kJ/mol	NIST
ΔfH°gas	-295.70 ± 0.70	kJ/mol	NIST
ΔfH°gas	-295.63 ± 0.74	kJ/mol	NIST
ΔfH°gas	-301.00	kJ/mol	NIST
ΔfH°gas	-301.00 ± 0.50	kJ/mol	NIST
ΔfH°gas	-300.60 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[-358.40; -351.62]	kJ/mol
ΔfH°liquid	-351.62 ± 0.28	kJ/mol	NIST
ΔfH°liquid	-352.60 ± 0.70	kJ/mol	NIST
ΔfH°liquid	-352.57 ± 0.72	kJ/mol	NIST
ΔfH°liquid	-357.90 ± 0.50	kJ/mol	NIST
ΔfH°liquid	-358.40 ± 1.70	kJ/mol	NIST
ΔfusH°	12.79	kJ/mol	Joback Calculated Property
ΔvapH°	[54.23; 57.80]	kJ/mol
ΔvapH°	57.04	kJ/mol	NIST
ΔvapH°	Outlier 54.23	kJ/mol	NIST
ΔvapH°	55.18	kJ/mol	NIST
ΔvapH°	55.40	kJ/mol	NIST
ΔvapH°	55.40	kJ/mol	NIST
ΔvapH°	57.80	kJ/mol	NIST
ΔvapH°	57.40	kJ/mol	NIST
ΔvapH°	56.94 ± 0.17	kJ/mol	NIST
ΔvapH°	56.90	kJ/mol	NIST
ΔvapH°	56.90 ± 0.20	kJ/mol	NIST
ΔvapH°	56.90 ± 0.20	kJ/mol	NIST
ΔvapH°	57.70 ± 1.10	kJ/mol	NIST
ΔvapH°	57.70 ± 1.00	kJ/mol	NIST
ΔvapH°	57.80	kJ/mol	NIST
IE	10.00	eV	NIST
IE	10.38	eV	NIST
IE	10.42 ± 0.03	eV	NIST
logPoct/wat	1.169		Crippen Calculated Property
Pc	[3868.00; 3920.00]	kPa
Pc	3900.00 ± 20.00	kPa	NIST
Pc	3920.00 ± 40.00	kPa	NIST
Pc	3868.00 ± 20.00	kPa	NIST
Pc	3868.00 ± 20.00	kPa	NIST
Pc	3909.00	kPa	NIST
Pc	3909.00	kPa	NIST
S°gas	401.30	J/mol×K	NIST
S°liquid	258.90	J/mol×K	NIST
S°liquid	254.80	J/mol×K	NIST
Tboil	[273.28; 684.20]	K
Tboil	Outlier 323.20	K	NIST
Tboil	Outlier 684.20 ± 0.40	K	NIST
Tboil	410.90 ± 0.30	K	NIST
Tboil	410.20	K	NIST
Tboil	410.15 ± 0.40	K	NIST
Tboil	411.20	K	NIST
Tboil	392.40	K	NIST
Tboil	411.00 ± 0.30	K	NIST
Tboil	411.10 ± 0.08	K	NIST
Tboil	411.00 ± 0.50	K	NIST
Tboil	Outlier 273.28 ± 0.10	K	NIST
Tboil	410.80 ± 0.40	K	NIST
Tboil	411.20 ± 0.50	K	NIST
Tboil	411.20 ± 0.40	K	NIST
Tboil	411.15	K	NIST
Tboil	409.15 ± 3.00	K	NIST
Tboil	411.65 ± 0.50	K	NIST
Tboil	410.65 ± 3.00	K	NIST
Tboil	410.65 ± 0.50	K	NIST
Tboil	411.15 ± 0.50	K	NIST
Tboil	411.00 ± 0.50	K	NIST
Tboil	410.15 ± 0.70	K	NIST
Tboil	408.65 ± 2.00	K	NIST
Tboil	411.07 ± 0.20	K	NIST
Tboil	409.65 ± 1.00	K	NIST
Tboil	406.65 ± 3.00	K	NIST
Tboil	410.65 ± 0.50	K	NIST
Tboil	411.15 ± 0.50	K	NIST
Tboil	411.35 ± 0.50	K	NIST
Tboil	411.05 ± 1.00	K	NIST
Tboil	411.15 ± 0.50	K	NIST
Tboil	410.15 ± 1.00	K	NIST
Tboil	410.15 ± 1.00	K	NIST
Tboil	411.40 ± 0.50	K	NIST
Tboil	411.35 ± 0.50	K	NIST
Tboil	411.15 ± 0.50	K	NIST
Tboil	409.15 ± 3.00	K	NIST
Tboil	410.90 ± 0.50	K	NIST
Tboil	411.15 ± 1.00	K	NIST
Tboil	410.95 ± 0.50	K	NIST
Tboil	411.10 ± 0.50	K	NIST
Tboil	407.15 ± 3.00	K	NIST
Tboil	411.21 ± 0.05	K	NIST
Tboil	410.80 ± 0.20	K	NIST
Tboil	411.10 ± 0.10	K	NIST
Tboil	409.85 ± 0.50	K	NIST
Tboil	410.95 ± 0.30	K	NIST
Tboil	411.40 ± 0.10	K	NIST
Tboil	408.90 ± 1.50	K	NIST
Tboil	410.95 ± 0.30	K	NIST
Tboil	410.95 ± 0.50	K	NIST
Tboil	411.15 ± 0.07	K	NIST
Tboil	410.40 ± 0.30	K	NIST
Tboil	409.15 ± 2.00	K	NIST
Tboil	411.20 ± 0.20	K	NIST
Tboil	411.00 ± 0.50	K	NIST
Tboil	410.65 ± 1.00	K	NIST
Tboil	411.15 ± 1.00	K	NIST
Tboil	411.10 ± 0.20	K	NIST
Tboil	411.10 ± 0.10	K	NIST
Tboil	402.20 ± 0.50	K	NIST
Tboil	404.15 ± 4.00	K	NIST
Tboil	410.00 ± 3.00	K	NIST
Tboil	404.75 ± 3.00	K	NIST
Tboil	411.00 ± 1.00	K	NIST
Tboil	402.90 ± 1.00	K	NIST
Tboil	404.15 ± 3.00	K	NIST
Tboil	404.25 ± 3.00	K	NIST
Tc	[551.60; 588.50]	K
Tc	588.10 ± 0.50	K	NIST
Tc	588.00 ± 0.40	K	NIST
Tc	588.20 ± 0.50	K	NIST
Tc	588.50 ± 0.60	K	NIST
Tc	588.50 ± 0.60	K	NIST
Tc	588.00	K	NIST
Tc	587.70 ± 0.20	K	NIST
Tc	588.20	K	NIST
Tc	Outlier 551.60	K	NIST
Tc	588.11	K	NIST
Tfus	[194.35; 194.95]	K
Tfus	194.95	K	NIST
Tfus	194.35 ± 0.30	K	NIST
Tfus	194.65 ± 0.50	K	NIST
Tfus	194.65 ± 0.50	K	NIST
Ttriple	195.56 ± 0.02	K	NIST
Ttriple	194.20 ± 0.20	K	NIST
Vc	0.326	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.91; 221.40]	J/mol×K	[403.49; 573.95]
Cp,gas	167.91	J/mol×K	403.49	NIST
Cp,gas	177.70 ± 1.40	J/mol×K	418.95	NIST
Cp,gas	178.20 ± 1.40	J/mol×K	420.75	NIST
Cp,gas	174.58	J/mol×K	423.32	NIST
Cp,gas	179.70 ± 1.40	J/mol×K	426.15	NIST
Cp,gas	181.70 ± 1.40	J/mol×K	433.45	NIST
Cp,gas	179.33	J/mol×K	438.26	NIST
Cp,gas	184.40 ± 1.40	J/mol×K	442.85	NIST
Cp,gas	184.80 ± 1.40	J/mol×K	444.35	NIST
Cp,gas	184.35	J/mol×K	453.45	NIST
Cp,gas	192.90 ± 1.40	J/mol×K	472.85	NIST
Cp,gas	190.44	J/mol×K	473.19	NIST
Cp,gas	195.50 ± 1.40	J/mol×K	482.25	NIST
Cp,gas	209.30 ± 1.40	J/mol×K	531.25	NIST
Cp,gas	215.80 ± 1.40	J/mol×K	554.15	NIST
Cp,gas	221.40 ± 1.40	J/mol×K	573.95	NIST
Cp,liquid	[183.30; 240.60]	J/mol×K	[293.15; 313.20]
Cp,liquid	205.60	J/mol×K	293.15	NIST
Cp,liquid	209.12	J/mol×K	298.0	NIST
Cp,liquid	183.30	J/mol×K	298.0	NIST
Cp,liquid	207.45	J/mol×K	298.15	NIST
Cp,liquid	207.45	J/mol×K	298.15	NIST
Cp,liquid	208.19	J/mol×K	298.15	NIST
Cp,liquid	208.98	J/mol×K	298.15	NIST
Cp,liquid	207.40	J/mol×K	298.15	NIST
Cp,liquid	208.40	J/mol×K	298.15	NIST
Cp,liquid	208.30	J/mol×K	298.15	NIST
Cp,liquid	212.30	J/mol×K	301.26	NIST
Cp,liquid	201.70	J/mol×K	302.4	NIST
Cp,liquid	240.60	J/mol×K	313.2	NIST
η	0.0002929	Pa×s	405.98	Joback Calculated Property
ΔfusH	[9.83; 10.51]	kJ/mol	[194.20; 195.60]
ΔfusH	9.83	kJ/mol	194.2	NIST
ΔfusH	10.50	kJ/mol	195.56	NIST
ΔfusH	10.51	kJ/mol	195.6	NIST
ΔfusH	10.50	kJ/mol	195.6	NIST
ΔfusH	10.50	kJ/mol	195.6	NIST
ΔvapH	[7.10; 56.20]	kJ/mol	[313.00; 586.00]
ΔvapH	55.70 ± 0.20	kJ/mol	313.0	NIST
ΔvapH	54.40 ± 0.20	kJ/mol	328.0	NIST
ΔvapH	53.00 ± 0.20	kJ/mol	343.0	NIST
ΔvapH	51.20 ± 0.20	kJ/mol	358.0	NIST
ΔvapH	56.20	kJ/mol	359.0	NIST
ΔvapH	55.00	kJ/mol	360.5	NIST
ΔvapH	50.50 ± 0.10	kJ/mol	362.0	NIST
ΔvapH	54.30	kJ/mol	368.5	NIST
ΔvapH	51.50	kJ/mol	372.5	NIST
ΔvapH	49.20 ± 0.10	kJ/mol	374.0	NIST
ΔvapH	51.60	kJ/mol	388.0	NIST
ΔvapH	47.00 ± 0.10	kJ/mol	392.0	NIST
ΔvapH	41.40	kJ/mol	392.4	NIST
ΔvapH	47.20	kJ/mol	404.0	NIST
ΔvapH	44.40	kJ/mol	411.0	NIST
ΔvapH	44.40 ± 0.10	kJ/mol	411.0	NIST
ΔvapH	44.36	kJ/mol	411.2	NIST
ΔvapH	45.40	kJ/mol	424.5	NIST
ΔvapH	40.10	kJ/mol	448.0	NIST
ΔvapH	36.10	kJ/mol	473.0	NIST
ΔvapH	31.70	kJ/mol	498.0	NIST
ΔvapH	26.40	kJ/mol	523.0	NIST
ΔvapH	22.00	kJ/mol	548.0	NIST
ΔvapH	14.10	kJ/mol	573.0	NIST
ΔvapH	7.10	kJ/mol	586.0	NIST
ΔfusS	50.61	J/mol×K	194.2	NIST
ΔfusS	53.70	J/mol×K	195.56	NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol)	1
-CH3	1
-CH2-	4

Similar Compounds

Find more compounds similar to 1-Pentanol.

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