Chemical Properties of 1-Propanol (CAS 71-23-8)

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InChI

InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3

InChI Key

BDERNNFJNOPAEC-UHFFFAOYSA-N

Formula

C3H8O

SMILES

CCCO

Molecular Weight¹

60.10

CAS

71-23-8

Other Names

• 1-Hydroxypropane
• 1-Propyl alcohol
• Alcohol, propyl
• Alcool propilico
• Alcool propylique
• Ethylcarbinol
• NSC 30300
• Optal
• Osmosol extra
• Propan-1-ol
• Propanol
• Propanol-1
• Propanole
• Propanolen
• Propanoli
• Propyl alcohol
• Propylan-propyl alcohol
• Propylic alcohol
• Propylowy alkohol
• UN 1274
• n-C3H7OH
• n-Propan-1-ol
• n-Propanol
• n-Propyl alcohol
• n-Propyl alkohol

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (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).
• C_p,solid: Solid 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).
• S°_{solid,1 bar}: Solid 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	786.50	kJ/mol	NIST
BasG	756.10	kJ/mol	NIST
ΔcH°liquid	[-2032.59; -2017.70]	kJ/mol
ΔcH°liquid	-2021.31 ± 0.25	kJ/mol	NIST
ΔcH°liquid	-2019.40 ± 0.30	kJ/mol	NIST
ΔcH°liquid	-2021.40 ± 0.75	kJ/mol	NIST
ΔcH°liquid	-2017.70 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-2032.59	kJ/mol	NIST
ΔfG°	-162.44	kJ/mol	Joback Calculated Property
ΔfH°gas	[-258.80; -254.70]	kJ/mol
ΔfH°gas	-255.10	kJ/mol	NIST
ΔfH°gas	-255.20 ± 0.30	kJ/mol	NIST
ΔfH°gas	-255.60 ± 1.30	kJ/mol	NIST
ΔfH°gas	-257.20	kJ/mol	NIST
ΔfH°gas	-257.30 ± 0.40	kJ/mol	NIST
ΔfH°gas	-254.70 ± 4.40	kJ/mol	NIST
ΔfH°gas	-258.80 ± 1.10	kJ/mol	NIST
ΔfH°liquid	[-306.30; -302.50]	kJ/mol
ΔfH°liquid	-302.54 ± 0.25	kJ/mol	NIST
ΔfH°liquid	-303.00 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-304.60 ± 0.40	kJ/mol	NIST
ΔfH°liquid	-302.50 ± 4.20	kJ/mol	NIST
ΔfH°liquid	-306.30 ± 1.00	kJ/mol	NIST
ΔfusH°	7.61	kJ/mol	Joback Calculated Property
ΔvapH°	[45.70; 49.20]	kJ/mol
ΔvapH°	47.50	kJ/mol	NIST
ΔvapH°	46.30	kJ/mol	NIST
ΔvapH°	47.80	kJ/mol	NIST
ΔvapH°	Outlier 45.70	kJ/mol	NIST
ΔvapH°	Outlier 49.20	kJ/mol	NIST
ΔvapH°	47.41 ± 0.08	kJ/mol	NIST
ΔvapH°	47.40	kJ/mol	NIST
ΔvapH°	47.49 ± 0.02	kJ/mol	NIST
ΔvapH°	47.49 ± 0.02	kJ/mol	NIST
ΔvapH°	47.30 ± 0.10	kJ/mol	NIST
ΔvapH°	47.32 ± 0.08	kJ/mol	NIST
ΔvapH°	46.60	kJ/mol	NIST
ΔvapH°	47.90 ± 0.20	kJ/mol	NIST
ΔvapH°	47.80	kJ/mol	NIST
ΔvapH°	47.50	kJ/mol	NIST
IE	[10.00; 10.52]	eV
IE	10.22 ± 0.06	eV	NIST
IE	10.22 ± 0.07	eV	NIST
IE	10.00	eV	NIST
IE	10.15 ± 0.03	eV	NIST
IE	10.16 ± 0.03	eV	NIST
IE	10.32 ± 0.02	eV	NIST
IE	10.25	eV	NIST
IE	10.22 ± 0.04	eV	NIST
IE	10.20	eV	NIST
IE	10.51	eV	NIST
IE	10.52 ± 0.03	eV	NIST
IE	10.51	eV	NIST
IE	10.49	eV	NIST
IE	10.48	eV	NIST
logPoct/wat	0.389		Crippen Calculated Property
Pc	[5082.00; 5397.00]	kPa
Pc	5170.00 ± 20.00	kPa	NIST
Pc	5170.00	kPa	NIST
Pc	5168.00 ± 20.00	kPa	NIST
Pc	5168.00 ± 20.00	kPa	NIST
Pc	5170.00	kPa	NIST
Pc	5182.00 ± 10.00	kPa	NIST
Pc	5155.00	kPa	NIST
Pc	5170.00	kPa	NIST
Pc	5082.00	kPa	NIST
Pc	5218.00	kPa	NIST
Pc	5082.00	kPa	NIST
Pc	Outlier 5397.00	kPa	NIST
S°gas	322.49	J/mol×K	NIST
S°liquid	192.80	J/mol×K	NIST
S°liquid	214.20	J/mol×K	NIST
S°solid,1 bar	112.70	J/mol×K	NIST
Tboil	[355.30; 371.25]	K
Tboil	370.30 ± 0.20	K	NIST
Tboil	370.26 ± 0.20	K	NIST
Tboil	370.26 ± 0.20	K	NIST
Tboil	370.20 ± 0.40	K	NIST
Tboil	370.26 ± 0.20	K	NIST
Tboil	370.26 ± 0.20	K	NIST
Tboil	370.28 ± 0.08	K	NIST
Tboil	370.30 ± 0.20	K	NIST
Tboil	370.40 ± 0.20	K	NIST
Tboil	370.30 ± 0.30	K	NIST
Tboil	370.10 ± 0.25	K	NIST
Tboil	370.60	K	NIST
Tboil	370.50 ± 0.20	K	NIST
Tboil	370.30	K	NIST
Tboil	370.40 ± 0.40	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.15 ± 0.50	K	NIST
Tboil	370.60 ± 0.30	K	NIST
Tboil	370.30 ± 0.50	K	NIST
Tboil	370.32 ± 0.06	K	NIST
Tboil	370.30 ± 0.50	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.29 ± 0.30	K	NIST
Tboil	370.30 ± 0.50	K	NIST
Tboil	370.30 ± 0.50	K	NIST
Tboil	370.35 ± 0.20	K	NIST
Tboil	370.23 ± 0.12	K	NIST
Tboil	370.50 ± 0.30	K	NIST
Tboil	370.35 ± 0.30	K	NIST
Tboil	370.35	K	NIST
Tboil	370.35 ± 0.30	K	NIST
Tboil	370.25 ± 0.20	K	NIST
Tboil	370.44 ± 0.15	K	NIST
Tboil	370.30 ± 0.05	K	NIST
Tboil	370.40 ± 0.20	K	NIST
Tboil	370.23 ± 0.20	K	NIST
Tboil	370.00 ± 1.50	K	NIST
Tboil	370.00 ± 1.00	K	NIST
Tboil	370.35 ± 0.30	K	NIST
Tboil	370.38 ± 0.10	K	NIST
Tboil	370.60 ± 0.30	K	NIST
Tboil	370.34 ± 0.30	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.70 ± 1.00	K	NIST
Tboil	366.70 ± 3.00	K	NIST
Tboil	370.60 ± 0.30	K	NIST
Tboil	370.00 ± 1.00	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.00 ± 0.50	K	NIST
Tboil	370.59 ± 0.33	K	NIST
Tboil	370.40 ± 0.20	K	NIST
Tboil	370.20 ± 0.30	K	NIST
Tboil	370.30 ± 0.20	K	NIST
Tboil	368.70 ± 1.00	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	368.60 ± 1.00	K	NIST
Tboil	370.00 ± 1.00	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.60 ± 0.50	K	NIST
Tboil	370.34 ± 0.20	K	NIST
Tboil	367.60 ± 1.00	K	NIST
Tboil	370.00 ± 1.00	K	NIST
Tboil	369.60 ± 0.50	K	NIST
Tboil	Outlier 355.40 ± 0.30	K	NIST
Tboil	370.10 ± 0.50	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.40 ± 0.40	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	371.20 ± 0.50	K	NIST
Tboil	370.70 ± 0.60	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.50 ± 0.50	K	NIST
Tboil	Outlier 355.30 ± 0.50	K	NIST
Tboil	369.60 ± 1.00	K	NIST
Tboil	369.80 ± 0.40	K	NIST
Tboil	371.00 ± 0.30	K	NIST
Tboil	370.30 ± 0.20	K	NIST
Tboil	369.60 ± 1.00	K	NIST
Tboil	370.35 ± 0.03	K	NIST
Tboil	370.95 ± 0.10	K	NIST
Tboil	370.30 ± 0.30	K	NIST
Tboil	370.30 ± 0.05	K	NIST
Tboil	370.40 ± 0.10	K	NIST
Tboil	370.34 ± 0.07	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.60 ± 0.50	K	NIST
Tboil	370.50 ± 0.50	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.50 ± 0.50	K	NIST
Tboil	370.70 ± 0.50	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.70 ± 1.00	K	NIST
Tboil	370.31 ± 0.30	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.70 ± 1.00	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	371.00 ± 0.30	K	NIST
Tboil	370.50 ± 0.50	K	NIST
Tboil	370.20 ± 0.50	K	NIST
Tboil	370.34 ± 0.10	K	NIST
Tboil	370.60 ± 0.50	K	NIST
Tboil	370.90 ± 0.20	K	NIST
Tboil	370.13 ± 0.20	K	NIST
Tboil	370.30 ± 0.20	K	NIST
Tboil	371.25 ± 0.20	K	NIST
Tboil	370.34 ± 0.05	K	NIST
Tboil	370.33 ± 0.05	K	NIST
Tboil	370.35 ± 0.05	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.20 ± 0.50	K	NIST
Tboil	369.80 ± 0.30	K	NIST
Tboil	369.90 ± 0.50	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.37 ± 0.10	K	NIST
Tboil	369.60 ± 1.00	K	NIST
Tboil	370.30 ± 0.50	K	NIST
Tboil	370.60 ± 0.30	K	NIST
Tboil	370.41 ± 0.20	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.40 ± 0.30	K	NIST
Tboil	370.50 ± 0.50	K	NIST
Tboil	370.00 ± 1.00	K	NIST
Tboil	368.70 ± 0.50	K	NIST
Tboil	370.34 ± 0.20	K	NIST
Tboil	369.80 ± 0.50	K	NIST
Tboil	370.40 ± 0.50	K	NIST
Tboil	370.40 ± 0.10	K	NIST
Tboil	369.20 ± 0.10	K	NIST
Tboil	369.30 ± 0.50	K	NIST
Tboil	369.90 ± 2.00	K	NIST
Tboil	369.75 ± 0.50	K	NIST
Tboil	371.00 ± 1.00	K	NIST
Tboil	371.00 ± 0.50	K	NIST
Tboil	370.60 ± 0.50	K	NIST
Tboil	370.56 ± 0.30	K	NIST
Tboil	Outlier 363.00 ± 4.00	K	NIST
Tc	[527.40; 543.70]	K
Tc	536.80 ± 0.30	K	NIST
Tc	537.50	K	NIST
Tc	536.70 ± 0.60	K	NIST
Tc	536.70 ± 0.60	K	NIST
Tc	536.70	K	NIST
Tc	536.70	K	NIST
Tc	537.32 ± 0.10	K	NIST
Tc	536.50 ± 0.30	K	NIST
Tc	536.50 ± 0.30	K	NIST
Tc	536.50 ± 0.30	K	NIST
Tc	537.00	K	NIST
Tc	536.98	K	NIST
Tc	536.74	K	NIST
Tc	536.20	K	NIST
Tc	536.20	K	NIST
Tc	537.30	K	NIST
Tc	536.90	K	NIST
Tc	538.00 ± 2.00	K	NIST
Tc	537.20	K	NIST
Tc	Outlier 543.70	K	NIST
Tc	539.00	K	NIST
Tc	536.90	K	NIST
Tc	534.20 ± 3.00	K	NIST
Tc	Outlier 527.40	K	NIST
Tc	531.20	K	NIST
Tfus	146.95	K	NIST
Tfus	146.70 ± 0.50	K	NIST
Tfus	147.00 ± 3.00	K	NIST
Ttriple	148.75 ± 0.02	K	NIST
Ttriple	148.75 ± 0.02	K	NIST
Ttriple	147.00 ± 0.30	K	NIST
Vc	0.218	m3/kg-mol	NIST
Vc	0.216 ± 0.001	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.26; 148.95]	J/mol×K	[371.20; 603.25]
Cp,gas	102.26 ± 0.20	J/mol×K	371.2	NIST
Cp,gas	107.28 ± 0.96	J/mol×K	375.45	NIST
Cp,gas	108.67 ± 0.96	J/mol×K	383.05	NIST
Cp,gas	109.42 ± 0.96	J/mol×K	387.15	NIST
Cp,gas	106.44 ± 0.21	J/mol×K	391.2	NIST
Cp,gas	111.21 ± 0.96	J/mol×K	396.95	NIST
Cp,gas	113.59 ± 0.96	J/mol×K	409.95	NIST
Cp,gas	110.42 ± 0.22	J/mol×K	411.2	NIST
Cp,gas	115.56 ± 0.96	J/mol×K	420.75	NIST
Cp,gas	115.97 ± 0.96	J/mol×K	422.95	NIST
Cp,gas	114.35 ± 0.23	J/mol×K	431.2	NIST
Cp,gas	118.71 ± 0.96	J/mol×K	437.95	NIST
Cp,gas	118.62 ± 0.24	J/mol×K	451.2	NIST
Cp,gas	122.94 ± 0.96	J/mol×K	461.05	NIST
Cp,gas	125.55 ± 0.96	J/mol×K	475.35	NIST
Cp,gas	130.97 ± 0.96	J/mol×K	504.95	NIST
Cp,gas	132.23 ± 0.96	J/mol×K	511.85	NIST
Cp,gas	135.98 ± 0.96	J/mol×K	532.35	NIST
Cp,gas	141.05 ± 0.96	J/mol×K	560.05	NIST
Cp,gas	144.49 ± 0.96	J/mol×K	578.85	NIST
Cp,gas	148.95 ± 0.96	J/mol×K	603.25	NIST
Cp,liquid	[131.30; 192.90]	J/mol×K	[270.00; 320.00]
Cp,liquid	136.00	J/mol×K	270.0	NIST
Cp,liquid	131.30	J/mol×K	274.6	NIST
Cp,liquid	133.50	J/mol×K	275.0	NIST
Cp,liquid	133.50	J/mol×K	275.4	NIST
Cp,liquid	138.40	J/mol×K	288.15	NIST
Cp,liquid	141.80	J/mol×K	293.15	NIST
Cp,liquid	144.60	J/mol×K	298.0	NIST
Cp,liquid	146.10	J/mol×K	298.0	NIST
Cp,liquid	144.80	J/mol×K	298.0	NIST
Cp,liquid	145.60	J/mol×K	298.1	NIST
Cp,liquid	192.90	J/mol×K	298.1	NIST
Cp,liquid	143.96	J/mol×K	298.15	NIST
Cp,liquid	144.44	J/mol×K	298.15	NIST
Cp,liquid	146.88	J/mol×K	298.15	NIST
Cp,liquid	143.77	J/mol×K	298.15	NIST
Cp,liquid	149.00	J/mol×K	298.15	NIST
Cp,liquid	143.78	J/mol×K	298.15	NIST
Cp,liquid	143.87	J/mol×K	298.15	NIST
Cp,liquid	144.06	J/mol×K	298.15	NIST
Cp,liquid	143.80	J/mol×K	298.15	NIST
Cp,liquid	146.34	J/mol×K	298.216	NIST
Cp,liquid	164.80	J/mol×K	301.2	NIST
Cp,liquid	140.21	J/mol×K	303.0	NIST
Cp,liquid	147.90	J/mol×K	303.4	NIST
Cp,liquid	158.60	J/mol×K	313.2	NIST
Cp,liquid	155.60	J/mol×K	320.0	NIST
Cp,solid	106.30	J/mol×K	150.0	NIST
η	0.0003855	Pa×s	360.22	Joback Calculated Property
ΔfusH	[5.19; 5.40]	kJ/mol	[147.00; 148.80]
ΔfusH	5.19	kJ/mol	147.0	NIST
ΔfusH	5.40	kJ/mol	148.7	NIST
ΔfusH	5.37	kJ/mol	148.75	NIST
ΔfusH	5.37	kJ/mol	148.8	NIST
ΔfusH	5.37	kJ/mol	148.8	NIST
ΔvapH	[11.40; 49.30]	kJ/mol	[214.00; 528.00]
ΔvapH	48.00	kJ/mol	214.0	NIST
ΔvapH	46.40 ± 0.10	kJ/mol	313.0	NIST
ΔvapH	46.70	kJ/mol	318.0	NIST
ΔvapH	45.70 ± 0.10	kJ/mol	323.0	NIST
ΔvapH	49.30	kJ/mol	324.0	NIST
ΔvapH	46.90	kJ/mol	331.0	NIST
ΔvapH	44.90 ± 0.10	kJ/mol	333.0	NIST
ΔvapH	44.99 ± 0.42	kJ/mol	333.13	NIST
ΔvapH	47.00	kJ/mol	336.5	NIST
ΔvapH	44.00 ± 0.10	kJ/mol	343.0	NIST
ΔvapH	43.90 ± 0.10	kJ/mol	343.0	NIST
ΔvapH	45.50	kJ/mol	344.0	NIST
ΔvapH	43.20 ± 0.10	kJ/mol	353.0	NIST
ΔvapH	43.20	kJ/mol	354.0	NIST
ΔvapH	44.70	kJ/mol	355.0	NIST
ΔvapH	44.30	kJ/mol	358.0	NIST
ΔvapH	42.30 ± 0.10	kJ/mol	360.0	NIST
ΔvapH	42.40 ± 0.10	kJ/mol	363.0	NIST
ΔvapH	44.10	kJ/mol	364.0	NIST
ΔvapH	43.50	kJ/mol	366.0	NIST
ΔvapH	42.90	kJ/mol	368.5	NIST
ΔvapH	41.20 ± 0.10	kJ/mol	370.0	NIST
ΔvapH	41.44	kJ/mol	370.3	NIST
ΔvapH	41.20	kJ/mol	371.0	NIST
ΔvapH	40.30 ± 0.10	kJ/mol	378.0	NIST
ΔvapH	39.70 ± 0.10	kJ/mol	384.0	NIST
ΔvapH	42.30	kJ/mol	388.0	NIST
ΔvapH	35.20	kJ/mol	423.0	NIST
ΔvapH	40.10	kJ/mol	441.5	NIST
ΔvapH	29.40	kJ/mol	453.0	NIST
ΔvapH	40.70	kJ/mol	471.0	NIST
ΔvapH	36.50	kJ/mol	492.5	NIST
ΔvapH	21.00	kJ/mol	498.0	NIST
ΔvapH	11.40	kJ/mol	528.0	NIST
ΔfusS	35.30	J/mol×K	147.0	NIST
ΔfusS	36.11	J/mol×K	148.75	NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol)	1
-CH3	1
-CH2-	2

Similar Compounds

Find more compounds similar to 1-Propanol.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.