Chemical Properties of Isopropyl alcohol (CAS 67-63-0)

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

InChI

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

InChI Key

KFZMGEQAYNKOFK-UHFFFAOYSA-N

Formula

C3H8O

SMILES

CC(C)O

Molecular Weight¹

60.10

CAS

67-63-0

Other Names

• 1-Methylethyl Alcohol
• 1-methylethanol
• 2-Hydroxypropane
• 2-Propanol
• 2-Propyl alcohol
• Alcojel
• Alcolo
• Alcool isopropilico
• Alcool isopropylique
• Alcosolve
• Alcosolve 2
• Alkolave
• Arquad DMCB
• Avantin
• Avantine
• Combi-Schutz
• Dimethylcarbinol
• Hartosol
• IPA
• IPS 1
• Imsol A
• Isohol
• Isopropanol
• Isopropyl alcohol, rubbing
• Lavacol
• Lutosol
• PRO
• Petrohol
• Propan-2-ol
• Propane, 2-hydroxy-
• Propanol-2
• Propol
• Spectrar
• Sterisol hand disinfectant
• Takineocol
• UN 1219
• Virahol
• Visco 1152
• i-Propanol
• i-Propylalkohol
• iso-C3H7OH
• iso-Propylalkohol
• n-Propan-2-ol
• sec-Propanol
• sec-Propyl Alcohol

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).
• 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°_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	793.00	kJ/mol	NIST
PAff	796.00 ± 6.00	kJ/mol	NIST
BasG	762.60	kJ/mol	NIST
ΔcH°liquid	-2006.90 ± 0.20	kJ/mol	NIST
ΔcH°liquid	-2005.80 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-2005.10	kJ/mol	NIST
ΔfG°	-164.88	kJ/mol	Joback Calculated Property
ΔfH°gas	[-272.80; -271.10]	kJ/mol
ΔfH°gas	-272.80	kJ/mol	NIST
ΔfH°gas	-271.10	kJ/mol	NIST
ΔfH°gas	-272.30 ± 0.92	kJ/mol	NIST
ΔfH°gas	-272.80	kJ/mol	NIST
ΔfH°liquid	-317.00 ± 0.30	kJ/mol	NIST
ΔfH°liquid	-318.20 ± 0.71	kJ/mol	NIST
ΔfH°liquid	-318.70	kJ/mol	NIST
ΔfusH°	4.09	kJ/mol	Joback Calculated Property
ΔvapH°	[40.00; 45.90]	kJ/mol
ΔvapH°	45.48	kJ/mol	NIST
ΔvapH°	44.00	kJ/mol	NIST
ΔvapH°	45.34 ± 0.02	kJ/mol	NIST
ΔvapH°	45.34 ± 0.02	kJ/mol	NIST
ΔvapH°	45.20 ± 0.10	kJ/mol	NIST
ΔvapH°	45.20 ± 0.10	kJ/mol	NIST
ΔvapH°	45.51	kJ/mol	NIST
ΔvapH°	44.00	kJ/mol	NIST
ΔvapH°	45.90 ± 0.20	kJ/mol	NIST
ΔvapH°	44.40	kJ/mol	NIST
ΔvapH°	Outlier 40.00 ± 0.04	kJ/mol	NIST
IE	[10.10; 10.49]	eV
IE	10.17 ± 0.02	eV	NIST
IE	10.15 ± 0.07	eV	NIST
IE	10.10 ± 0.02	eV	NIST
IE	10.29 ± 0.02	eV	NIST
IE	10.18	eV	NIST
IE	10.12 ± 0.03	eV	NIST
IE	10.15 ± 0.05	eV	NIST
IE	10.44	eV	NIST
IE	10.49 ± 0.03	eV	NIST
IE	10.42	eV	NIST
IE	10.36	eV	NIST
IE	10.42	eV	NIST
logPoct/wat	0.387		Crippen Calculated Property
Pc	[4716.00; 5380.00]	kPa
Pc	4760.00 ± 20.00	kPa	NIST
Pc	4770.00	kPa	NIST
Pc	4761.00 ± 20.00	kPa	NIST
Pc	4761.00 ± 20.00	kPa	NIST
Pc	4762.00	kPa	NIST
Pc	4716.00 ± 8.00	kPa	NIST
Pc	4762.00 ± 4.75	kPa	NIST
Pc	4764.00	kPa	NIST
Pc	5370.23 ± 101.32	kPa	NIST
Pc	Outlier 5380.00	kPa	NIST
S°liquid	[179.90; 192.90]	J/mol×K
S°liquid	180.58	J/mol×K	NIST
S°liquid	179.90	J/mol×K	NIST
S°liquid	192.90	J/mol×K	NIST
S°liquid	190.80	J/mol×K	NIST
Tboil	[3.50; 385.20]	K
Tboil	355.42 ± 0.20	K	NIST
Tboil	355.42 ± 0.30	K	NIST
Tboil	355.42 ± 0.07	K	NIST
Tboil	355.65 ± 0.20	K	NIST
Tboil	355.65 ± 0.30	K	NIST
Tboil	355.42 ± 0.20	K	NIST
Tboil	355.60	K	NIST
Tboil	385.20 ± 0.20	K	NIST
Tboil	355.60 ± 0.10	K	NIST
Tboil	355.40	K	NIST
Tboil	355.45 ± 0.40	K	NIST
Tboil	355.45 ± 0.40	K	NIST
Tboil	355.45 ± 0.30	K	NIST
Tboil	355.06 ± 0.25	K	NIST
Tboil	355.45 ± 0.10	K	NIST
Tboil	354.85 ± 0.30	K	NIST
Tboil	355.45 ± 0.30	K	NIST
Tboil	355.00 ± 0.30	K	NIST
Tboil	355.55 ± 0.30	K	NIST
Tboil	355.20 ± 0.60	K	NIST
Tboil	355.70 ± 0.30	K	NIST
Tboil	355.50 ± 0.40	K	NIST
Tboil	355.39 ± 0.30	K	NIST
Tboil	355.50 ± 0.50	K	NIST
Tboil	353.60 ± 0.50	K	NIST
Tboil	355.45 ± 0.25	K	NIST
Tboil	355.45	K	NIST
Tboil	353.60 ± 0.30	K	NIST
Tboil	355.45 ± 0.40	K	NIST
Tboil	355.45 ± 0.30	K	NIST
Tboil	355.45 ± 0.08	K	NIST
Tboil	355.55 ± 0.15	K	NIST
Tboil	355.54 ± 0.20	K	NIST
Tboil	355.37 ± 0.30	K	NIST
Tboil	355.16 ± 0.20	K	NIST
Tboil	355.48 ± 0.30	K	NIST
Tboil	355.35 ± 0.50	K	NIST
Tboil	355.45	K	NIST
Tboil	355.35 ± 0.50	K	NIST
Tboil	355.55 ± 0.30	K	NIST
Tboil	355.65 ± 1.00	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	Outlier 3.50 ± 2.00	K	NIST
Tboil	354.70 ± 1.00	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	355.45 ± 0.10	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	355.60 ± 0.25	K	NIST
Tboil	355.30 ± 0.50	K	NIST
Tboil	355.25 ± 0.50	K	NIST
Tboil	355.15 ± 1.00	K	NIST
Tboil	355.48 ± 0.33	K	NIST
Tboil	355.35 ± 0.30	K	NIST
Tboil	354.65 ± 1.00	K	NIST
Tboil	357.65 ± 1.00	K	NIST
Tboil	355.48 ± 0.44	K	NIST
Tboil	355.45 ± 0.20	K	NIST
Tboil	353.90 ± 2.00	K	NIST
Tboil	355.40 ± 0.10	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	364.85 ± 0.50	K	NIST
Tboil	355.65 ± 0.50	K	NIST
Tboil	355.15 ± 1.30	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	355.65 ± 1.00	K	NIST
Tboil	355.85 ± 0.50	K	NIST
Tboil	355.35 ± 0.30	K	NIST
Tboil	355.45 ± 0.50	K	NIST
Tboil	355.60 ± 0.40	K	NIST
Tboil	355.39 ± 0.20	K	NIST
Tboil	355.57 ± 0.10	K	NIST
Tboil	355.55 ± 0.30	K	NIST
Tboil	355.25 ± 0.30	K	NIST
Tboil	354.87 ± 0.30	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	355.90 ± 0.40	K	NIST
Tboil	355.15 ± 2.00	K	NIST
Tboil	355.51 ± 0.10	K	NIST
Tboil	355.45 ± 0.30	K	NIST
Tboil	354.95 ± 0.50	K	NIST
Tboil	354.55 ± 0.50	K	NIST
Tboil	355.45 ± 0.50	K	NIST
Tboil	355.54 ± 0.10	K	NIST
Tboil	355.44 ± 0.10	K	NIST
Tboil	355.55 ± 0.10	K	NIST
Tboil	355.46 ± 0.20	K	NIST
Tboil	355.50 ± 0.20	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	355.45 ± 1.00	K	NIST
Tboil	355.95 ± 1.00	K	NIST
Tboil	355.60 ± 0.50	K	NIST
Tboil	355.60 ± 0.50	K	NIST
Tboil	355.60 ± 0.50	K	NIST
Tboil	355.15 ± 0.20	K	NIST
Tboil	355.60 ± 0.20	K	NIST
Tboil	Outlier 82.21 ± 0.20	K	NIST
Tboil	353.85 ± 0.50	K	NIST
Tboil	355.55 ± 0.30	K	NIST
Tboil	355.50 ± 0.30	K	NIST
Tboil	355.15 ± 0.20	K	NIST
Tboil	355.40 ± 0.05	K	NIST
Tboil	355.55 ± 0.50	K	NIST
Tboil	355.41 ± 0.05	K	NIST
Tboil	355.40 ± 0.05	K	NIST
Tboil	355.43 ± 0.05	K	NIST
Tboil	355.41 ± 0.05	K	NIST
Tboil	355.55 ± 0.20	K	NIST
Tboil	351.65 ± 3.00	K	NIST
Tboil	355.75 ± 0.30	K	NIST
Tboil	354.65 ± 1.50	K	NIST
Tboil	354.20 ± 0.50	K	NIST
Tboil	355.65 ± 1.00	K	NIST
Tboil	355.15 ± 1.50	K	NIST
Tboil	355.59 ± 0.20	K	NIST
Tboil	355.19 ± 0.20	K	NIST
Tboil	356.15 ± 1.00	K	NIST
Tboil	356.00 ± 0.50	K	NIST
Tboil	355.65 ± 1.50	K	NIST
Tboil	356.00 ± 0.50	K	NIST
Tc	[507.36; 516.60]	K
Tc	508.30 ± 0.30	K	NIST
Tc	508.60	K	NIST
Tc	508.00 ± 0.60	K	NIST
Tc	508.00 ± 0.60	K	NIST
Tc	508.00	K	NIST
Tc	507.36 ± 0.20	K	NIST
Tc	508.30	K	NIST
Tc	508.30 ± 0.05	K	NIST
Tc	508.30 ± 1.00	K	NIST
Tc	508.30 ± 0.20	K	NIST
Tc	508.30 ± 0.30	K	NIST
Tc	508.30 ± 0.30	K	NIST
Tc	508.26	K	NIST
Tc	511.50	K	NIST
Tc	508.15 ± 0.50	K	NIST
Tc	508.40 ± 0.30	K	NIST
Tc	508.80	K	NIST
Tc	Outlier 516.60	K	NIST
Tc	511.20 ± 3.00	K	NIST
Tc	507.80	K	NIST
Tfus	184.65	K	NIST
Tfus	185.75 ± 0.50	K	NIST
Tfus	185.35	K	NIST
Ttriple	[184.60; 185.26]	K
Ttriple	185.26 ± 0.05	K	NIST
Ttriple	185.25 ± 0.06	K	NIST
Ttriple	185.20 ± 0.05	K	NIST
Ttriple	184.67 ± 0.10	K	NIST
Ttriple	184.60 ± 0.30	K	NIST
Ttriple	184.60 ± 0.15	K	NIST
Vc	0.222	m3/kg-mol	NIST
Vc	0.223 ± 0.003	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.06; 148.10]	J/mol×K	[358.72; 597.25]
Cp,gas	103.06	J/mol×K	358.72	NIST
Cp,gas	105.70 ± 1.60	J/mol×K	365.75	NIST
Cp,gas	105.77	J/mol×K	371.15	NIST
Cp,gas	106.29	J/mol×K	373.15	NIST
Cp,gas	108.10 ± 1.60	J/mol×K	378.85	NIST
Cp,gas	109.20 ± 1.60	J/mol×K	384.95	NIST
Cp,gas	110.08	J/mol×K	391.15	NIST
Cp,gas	110.80 ± 1.60	J/mol×K	393.65	NIST
Cp,gas	111.65	J/mol×K	398.15	NIST
Cp,gas	113.00 ± 1.60	J/mol×K	405.35	NIST
Cp,gas	114.35	J/mol×K	411.15	NIST
Cp,gas	117.02	J/mol×K	423.15	NIST
Cp,gas	118.70	J/mol×K	431.15	NIST
Cp,gas	122.10	J/mol×K	448.15	NIST
Cp,gas	122.80	J/mol×K	451.15	NIST
Cp,gas	121.70 ± 1.60	J/mol×K	453.15	NIST
Cp,gas	124.20 ± 1.60	J/mol×K	466.75	NIST
Cp,gas	127.01	J/mol×K	473.15	NIST
Cp,gas	126.70 ± 1.60	J/mol×K	480.55	NIST
Cp,gas	130.30 ± 1.60	J/mol×K	499.75	NIST
Cp,gas	132.90 ± 1.60	J/mol×K	513.95	NIST
Cp,gas	137.50 ± 1.60	J/mol×K	539.05	NIST
Cp,gas	142.60 ± 1.60	J/mol×K	567.05	NIST
Cp,gas	148.10 ± 1.60	J/mol×K	597.25	NIST
Cp,liquid	[149.75; 180.30]	J/mol×K	[292.84; 324.00]
Cp,liquid	149.75	J/mol×K	292.84	NIST
Cp,liquid	151.00	J/mol×K	293.1	NIST
Cp,liquid	152.30	J/mol×K	293.1	NIST
Cp,liquid	154.00	J/mol×K	298.0	NIST
Cp,liquid	163.60	J/mol×K	298.0	NIST
Cp,liquid	159.99	J/mol×K	298.04	NIST
Cp,liquid	180.30	J/mol×K	298.1	NIST
Cp,liquid	161.20	J/mol×K	298.15	NIST
Cp,liquid	154.75	J/mol×K	298.15	NIST
Cp,liquid	154.43	J/mol×K	298.15	NIST
Cp,liquid	162.80	J/mol×K	298.2	NIST
Cp,liquid	169.90	J/mol×K	303.0	NIST
Cp,liquid	172.40	J/mol×K	303.2	NIST
Cp,liquid	165.60	J/mol×K	311.6	NIST
Cp,liquid	180.30	J/mol×K	324.0	NIST
η	0.0003775	Pa×s	359.78	Joback Calculated Property
ΔfusH	5.37	kJ/mol	184.7	NIST
ΔfusH	5.41	kJ/mol	185.2	NIST
ΔvapH	[10.50; 50.30]	kJ/mol	[211.50; 503.00]
ΔvapH	50.30	kJ/mol	211.5	NIST
ΔvapH	45.50	kJ/mol	318.0	NIST
ΔvapH	45.70	kJ/mol	323.5	NIST
ΔvapH	43.20	kJ/mol	324.0	NIST
ΔvapH	43.40 ± 0.08	kJ/mol	324.11	NIST
ΔvapH	44.80	kJ/mol	327.5	NIST
ΔvapH	42.70 ± 0.10	kJ/mol	330.0	NIST
ΔvapH	43.20	kJ/mol	338.5	NIST
ΔvapH	41.70	kJ/mol	339.0	NIST
ΔvapH	43.10	kJ/mol	343.5	NIST
ΔvapH	41.00 ± 0.10	kJ/mol	346.0	NIST
ΔvapH	42.80	kJ/mol	346.0	NIST
ΔvapH	39.80	kJ/mol	355.0	NIST
ΔvapH	39.80 ± 0.10	kJ/mol	355.0	NIST
ΔvapH	39.80	kJ/mol	355.0	NIST
ΔvapH	39.85	kJ/mol	355.4	NIST
ΔvapH	42.00	kJ/mol	357.5	NIST
ΔvapH	38.90 ± 0.10	kJ/mol	363.0	NIST
ΔvapH	41.30	kJ/mol	366.5	NIST
ΔvapH	41.10	kJ/mol	387.0	NIST
ΔvapH	39.20	kJ/mol	420.0	NIST
ΔvapH	29.70	kJ/mol	423.0	NIST
ΔvapH	39.10	kJ/mol	451.5	NIST
ΔvapH	23.70	kJ/mol	453.0	NIST
ΔvapH	35.30	kJ/mol	480.5	NIST
ΔvapH	16.50	kJ/mol	483.0	NIST
ΔvapH	10.50	kJ/mol	503.0	NIST
ΔfusS	[28.70; 29.21]	J/mol×K	[184.60; 185.20]
ΔfusS	28.72	J/mol×K	184.6	NIST
ΔfusS	28.70	J/mol×K	184.6	NIST
ΔfusS	29.09	J/mol×K	184.67	NIST
ΔfusS	29.21	J/mol×K	185.2	NIST

Molecular Descriptors

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

Similar Compounds

Find more compounds similar to Isopropyl alcohol.

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.