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

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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	0.39		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	0.22	m3/kg-mol	NIST
Vc	0.22 ± 0.00	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	0.00	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
-CH2-	2
-CH3	1
-OH (alcohol)	1

Similar Compounds

Find more compounds similar to 1-Propanol.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.