Chemical Properties of 2-Butene, 2-methyl- (CAS 513-35-9)

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InChI

InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3

InChI Key

BKOOMYPCSUNDGP-UHFFFAOYSA-N

Formula

C5H10

SMILES

CC=C(C)C

Molecular Weight¹

70.13

CAS

513-35-9

Other Names

• (CH3)2C=CHCH3
• 1,1,2-Trimethylethylene
• 2-Methyl-2-butene
• 2-Methylbut-2-ene
• 2-Methylbutene-2
• 3-Methyl-2-butene
• Amylene
• Ethylene, trimethyl-
• NSC 74118
• Trimethylethylene
• UN 2460
• n-Amylene
• «beta»-Isoamylene

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).
• 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	808.80	kJ/mol	NIST
BasG	779.90	kJ/mol	NIST
ΔcH°liquid	-3328.60 ± 1.30	kJ/mol	NIST
ΔfG°	62.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-41.50 ± 0.88	kJ/mol	NIST
ΔfH°gas	-41.00	kJ/mol	NIST
ΔfH°liquid	-68.60 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-68.10 ± 1.30	kJ/mol	NIST
ΔfusH°	7.60	kJ/mol	Joback Calculated Property
ΔvapH°	27.34	kJ/mol	NIST
ΔvapH°	27.10	kJ/mol	NIST
ΔvapH°	27.10 ± 0.10	kJ/mol	NIST
IE	[8.67; 8.85]	eV
IE	8.69 ± 0.01	eV	NIST
IE	8.69	eV	NIST
IE	8.68 ± 0.02	eV	NIST
IE	8.68 ± 0.00	eV	NIST
IE	8.70	eV	NIST
IE	8.83 ± 0.11	eV	NIST
IE	8.72	eV	NIST
IE	Outlier 8.85 ± 0.04	eV	NIST
IE	8.67 ± 0.02	eV	NIST
IE	8.68	eV	NIST
logPoct/wat	1.97		Crippen Calculated Property
Pc	3420.00 ± 100.00	kPa	NIST
S°liquid	251.20	J/mol×K	NIST
S°liquid	251.04	J/mol×K	NIST
S°liquid	248.90	J/mol×K	NIST
Tboil	[308.15; 312.00]	K
Tboil	Outlier 309.70	K	NIST
Tboil	311.80	K	NIST
Tboil	311.70	K	NIST
Tboil	310.70 ± 0.70	K	NIST
Tboil	311.40 ± 1.50	K	NIST
Tboil	311.60 ± 1.00	K	NIST
Tboil	311.60 ± 0.50	K	NIST
Tboil	311.70 ± 1.50	K	NIST
Tboil	311.80 ± 0.60	K	NIST
Tboil	312.00 ± 5.00	K	NIST
Tboil	311.72 ± 0.30	K	NIST
Tboil	311.65 ± 1.00	K	NIST
Tboil	311.75 ± 0.60	K	NIST
Tboil	311.63 ± 0.10	K	NIST
Tboil	Outlier 309.65 ± 2.00	K	NIST
Tboil	311.50 ± 0.60	K	NIST
Tboil	311.75 ± 0.50	K	NIST
Tboil	311.65 ± 1.00	K	NIST
Tboil	311.75 ± 0.50	K	NIST
Tboil	Outlier 308.15 ± 2.00	K	NIST
Tboil	311.70 ± 0.50	K	NIST
Tboil	311.64 ± 0.30	K	NIST
Tboil	311.75 ± 0.30	K	NIST
Tboil	310.30 ± 0.50	K	NIST
Tboil	311.00 ± 2.00	K	NIST
Tboil	311.65 ± 0.30	K	NIST
Tboil	311.75 ± 1.00	K	NIST
Tboil	311.63 ± 0.30	K	NIST
Tboil	311.75 ± 0.30	K	NIST
Tboil	311.15 ± 1.50	K	NIST
Tboil	311.15 ± 1.50	K	NIST
Tboil	311.75 ± 1.00	K	NIST
Tboil	311.57 ± 0.15	K	NIST
Tboil	311.57 ± 0.20	K	NIST
Tboil	311.45 ± 0.50	K	NIST
Tboil	311.27 ± 1.00	K	NIST
Tboil	309.80 ± 1.50	K	NIST
Tboil	310.90 ± 1.50	K	NIST
Tboil	310.85 ± 1.00	K	NIST
Tboil	311.45 ± 0.60	K	NIST
Tboil	311.40 ± 2.00	K	NIST
Tboil	310.30 ± 0.50	K	NIST
Tboil	311.00 ± 3.00	K	NIST
Tboil	311.57 ± 0.20	K	NIST
Tboil	310.15 ± 2.00	K	NIST
Tc	470.00 ± 1.00	K	NIST
Tc	481.00	K	NIST
Tfus	[127.10; 150.00]	K
Tfus	139.35 ± 0.07	K	NIST
Tfus	139.35 ± 0.04	K	NIST
Tfus	139.37 ± 0.02	K	NIST
Tfus	139.12 ± 0.40	K	NIST
Tfus	140.20 ± 0.50	K	NIST
Tfus	139.00 ± 1.50	K	NIST
Tfus	139.00 ± 1.00	K	NIST
Tfus	Outlier 127.10 ± 0.70	K	NIST
Tfus	150.00 ± 4.00	K	NIST
Tfus	146.00 ± 6.00	K	NIST
Ttriple	[138.90; 139.44]	K
Ttriple	139.40 ± 0.02	K	NIST
Ttriple	139.42 ± 0.05	K	NIST
Ttriple	139.44 ± 0.60	K	NIST
Ttriple	139.42 ± 0.60	K	NIST
Ttriple	138.90 ± 0.20	K	NIST
Vc	0.30	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.00; 152.05]	J/mol×K	[319.04; 471.09]
Cp,gas	111.00 ± 0.33	J/mol×K	319.04	NIST
Cp,gas	122.97 ± 0.37	J/mol×K	362.37	NIST
Cp,gas	133.93 ± 0.40	J/mol×K	402.26	NIST
Cp,gas	143.05 ± 0.43	J/mol×K	436.18	NIST
Cp,gas	152.05 ± 0.46	J/mol×K	471.09	NIST
Cp,liquid	146.40	J/mol×K	293.9	NIST
Cp,liquid	152.80	J/mol×K	298.15	NIST
Cp,liquid	152.80	J/mol×K	298.15	NIST
ΔfusH	[7.43; 7.60]	kJ/mol	[138.90; 139.42]
ΔfusH	7.43	kJ/mol	138.9	NIST
ΔfusH	7.58	kJ/mol	139.4	NIST
ΔfusH	7.59	kJ/mol	139.4	NIST
ΔfusH	7.60	kJ/mol	139.4	NIST
ΔfusH	7.60	kJ/mol	139.42	NIST
ΔvapH	[26.30; 28.40]	kJ/mol	[290.00; 312.00]
ΔvapH	27.50 ± 0.10	kJ/mol	290.0	NIST
ΔvapH	28.40	kJ/mol	307.0	NIST
ΔvapH	28.30	kJ/mol	310.0	NIST
ΔvapH	26.31	kJ/mol	311.7	NIST
ΔvapH	26.30 ± 0.10	kJ/mol	312.0	NIST
ΔfusS	5.35	J/mol×K	138.9	NIST
ΔfusS	54.37	J/mol×K	139.4	NIST
ΔfusS	54.49	J/mol×K	139.42	NIST

Molecular Descriptors

Joback and Reid Groups
-CH3	3
=C<	1
=CH-	1

Similar Compounds

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

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