Chemical Properties of 2-Butanol, 2-methyl- (CAS 75-85-4)

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InChI

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

InChI Key

MSXVEPNJUHWQHW-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCC(C)(C)O

Molecular Weight¹

88.15

CAS

75-85-4

Other Names

• 1,1-Dimethyl-1-propanol
• 2-Butanol, 2-methyl-
• 2-Methyl butanol-2
• 2-Methyl-2-butanol
• 2-Methylbutan-2-ol
• 2-methyl-2-butanol (tert-amyl alcohol)
• 3-Methyl-butanol-(3)
• 3-Methylbutan-3-ol
• C2H5C(CH3)2OH
• Dimethyl ethyl carbinol
• Ethyl dimethyl carbinol
• Methyl-2 butanol-2
• Methyl-3 butanol-3
• NSC 25498
• t-Amyl alcohol
• tert-Amyl alcohol
• tert-Isoamyl alcohol
• tert-Pentanol
• tert-Pentyl alcohol

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• 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
ΔcH°liquid	-3303.10 ± 0.46	kJ/mol	NIST
ΔfG°	-142.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.30	kJ/mol	NIST
ΔfH°liquid	-379.50 ± 0.54	kJ/mol	NIST
ΔfusH°	5.38	kJ/mol	Joback Calculated Property
ΔvapH°	[49.20; 51.50]	kJ/mol
ΔvapH°	50.17	kJ/mol	NIST
ΔvapH°	51.50 ± 0.30	kJ/mol	NIST
ΔvapH°	50.50	kJ/mol	NIST
ΔvapH°	50.20 ± 0.30	kJ/mol	NIST
ΔvapH°	50.10 ± 0.20	kJ/mol	NIST
ΔvapH°	49.20	kJ/mol	NIST
IE	9.80	eV	NIST
IE	10.16 ± 0.03	eV	NIST
logPoct/wat	1.167		Crippen Calculated Property
Pc	3710.00 ± 20.00	kPa	NIST
Pc	3710.00 ± 40.00	kPa	NIST
S°gas	362.80 ± 6.70	J/mol×K	NIST
S°liquid	229.30	J/mol×K	NIST
Tboil	[355.35; 376.15]	K
Tboil	375.20	K	NIST
Tboil	375.00	K	NIST
Tboil	375.40	K	NIST
Tboil	375.00 ± 0.50	K	NIST
Tboil	375.40 ± 0.40	K	NIST
Tboil	Outlier 355.35 ± 0.40	K	NIST
Tboil	373.15 ± 2.00	K	NIST
Tboil	374.65 ± 1.00	K	NIST
Tboil	375.40 ± 1.00	K	NIST
Tboil	375.05 ± 0.50	K	NIST
Tboil	375.45 ± 0.50	K	NIST
Tboil	374.55 ± 1.00	K	NIST
Tboil	374.85 ± 0.50	K	NIST
Tboil	374.65 ± 1.00	K	NIST
Tboil	375.15 ± 1.00	K	NIST
Tboil	375.40 ± 1.00	K	NIST
Tboil	374.95 ± 0.50	K	NIST
Tboil	375.50 ± 0.30	K	NIST
Tboil	374.65 ± 1.00	K	NIST
Tboil	375.60 ± 0.60	K	NIST
Tboil	375.20 ± 0.50	K	NIST
Tboil	375.15 ± 0.50	K	NIST
Tboil	374.65 ± 1.00	K	NIST
Tboil	373.45 ± 1.50	K	NIST
Tboil	375.50 ± 0.10	K	NIST
Tboil	375.40 ± 0.20	K	NIST
Tboil	375.20 ± 0.50	K	NIST
Tboil	Outlier 355.70 ± 0.50	K	NIST
Tboil	375.25 ± 0.50	K	NIST
Tboil	374.75 ± 0.50	K	NIST
Tboil	374.00 ± 3.00	K	NIST
Tboil	374.15 ± 2.00	K	NIST
Tboil	375.65 ± 2.00	K	NIST
Tboil	375.05 ± 0.50	K	NIST
Tboil	375.46 ± 0.20	K	NIST
Tboil	375.65 ± 2.00	K	NIST
Tboil	375.15 ± 2.00	K	NIST
Tboil	375.65 ± 2.00	K	NIST
Tboil	373.90 ± 2.00	K	NIST
Tboil	374.96 ± 0.50	K	NIST
Tboil	374.90 ± 1.00	K	NIST
Tboil	376.15 ± 2.00	K	NIST
Tc	[543.70; 545.00]	K
Tc	543.70 ± 0.50	K	NIST
Tc	543.70 ± 0.70	K	NIST
Tc	545.00	K	NIST
Tc	544.90	K	NIST
Tfus	264.20 ± 0.50	K	NIST
Tfus	263.95 ± 0.50	K	NIST
Tfus	262.75 ± 0.60	K	NIST
Ttriple	264.00 ± 0.20	K	NIST
Vc	0.324	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.70; 222.80]	J/mol×K	[381.35; 576.05]
Cp,gas	167.70 ± 4.10	J/mol×K	381.35	NIST
Cp,gas	168.60 ± 4.10	J/mol×K	384.65	NIST
Cp,gas	169.40 ± 4.10	J/mol×K	387.45	NIST
Cp,gas	171.90 ± 4.10	J/mol×K	396.05	NIST
Cp,gas	172.40 ± 4.10	J/mol×K	398.05	NIST
Cp,gas	180.30 ± 4.10	J/mol×K	425.95	NIST
Cp,gas	194.30 ± 4.10	J/mol×K	475.25	NIST
Cp,gas	207.20 ± 4.10	J/mol×K	520.85	NIST
Cp,gas	222.80 ± 4.10	J/mol×K	576.05	NIST
Cp,liquid	[244.14; 248.86]	J/mol×K	[294.40; 298.15]
Cp,liquid	244.14	J/mol×K	294.4	NIST
Cp,liquid	247.15	J/mol×K	298.15	NIST
Cp,liquid	248.86	J/mol×K	298.15	NIST
Cp,liquid	248.86	J/mol×K	298.15	NIST
Cp,liquid	247.30	J/mol×K	298.15	NIST
η	0.0003278	Pa×s	402.75	Joback Calculated Property
ΔfusH	1.96	kJ/mol	146.0	NIST
ΔfusH	0.17	kJ/mol	213.0	NIST
ΔfusH	4.46	kJ/mol	264.0	NIST
ΔvapH	[39.04; 52.80]	kJ/mol	[313.00; 375.40]
ΔvapH	48.40 ± 0.20	kJ/mol	313.0	NIST
ΔvapH	49.00	kJ/mol	327.5	NIST
ΔvapH	46.40 ± 0.20	kJ/mol	328.0	NIST
ΔvapH	48.50	kJ/mol	331.0	NIST
ΔvapH	52.80	kJ/mol	336.5	NIST
ΔvapH	51.20	kJ/mol	338.0	NIST
ΔvapH	47.30	kJ/mol	341.5	NIST
ΔvapH	44.20 ± 0.10	kJ/mol	343.0	NIST
ΔvapH	45.80	kJ/mol	349.5	NIST
ΔvapH	42.00 ± 0.10	kJ/mol	358.0	NIST
ΔvapH	40.30 ± 0.10	kJ/mol	368.0	NIST
ΔvapH	39.04	kJ/mol	375.4	NIST
ΔfusS	13.44	J/mol×K	146.0	NIST
ΔfusS	0.78	J/mol×K	213.0	NIST
ΔfusS	16.88	J/mol×K	264.0	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	1
-CH3	3
>C<	1
-OH (alcohol)	1

Similar Compounds

Find more compounds similar to 2-Butanol, 2-methyl-.

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