Chemical Properties of 1,3-Pentadiene, 2-methyl- (CAS 1118-58-7)

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3

InChI Key

RCJMVGJKROQDCB-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=C(C)C=CC

Molecular Weight¹

82.14

CAS

1118-58-7

Other Names

• 1,3-Dimethyl-1,3-butadiene
• 2,4-Dimethyl-1,3-butadiene
• 2-Methyl-1,3-pentadiene
• 2-Methyl-1,3-pentadiene,c&t
• 2-methylpenta-1,3-diene
• CH2=C(CH3)CH=CHCH3

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	864.90	kJ/mol	NIST
BasG	836.00	kJ/mol	NIST
ΔfG°	159.15	kJ/mol	Joback Calculated Property
ΔfH°gas	65.69	kJ/mol	Joback Calculated Property
ΔfusH°	8.91	kJ/mol	Joback Calculated Property
ΔvapH°	28.32	kJ/mol	Joback Calculated Property
IE	[8.42; 8.47]	eV
IE	8.47 ± 0.02	eV	NIST
IE	8.42	eV	NIST
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[624.00; 635.00]
Inp	624.00		NIST
Inp	629.00		NIST
Inp	635.00		NIST
Inp	630.00		NIST
Inp	624.00		NIST
Inp	630.00		NIST
Inp	629.00		NIST
Tboil	337.40	K	Joback Calculated Property
Tc	517.19	K	Joback Calculated Property
Tfus	136.58	K	Joback Calculated Property
Vc	0.334	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.16; 184.75]	J/mol×K	[337.40; 517.19]
Cp,gas	132.16	J/mol×K	337.40	Joback Calculated Property
Cp,gas	142.08	J/mol×K	367.36	Joback Calculated Property
Cp,gas	151.51	J/mol×K	397.33	Joback Calculated Property
Cp,gas	160.47	J/mol×K	427.29	Joback Calculated Property
Cp,gas	168.98	J/mol×K	457.26	Joback Calculated Property
Cp,gas	177.07	J/mol×K	487.22	Joback Calculated Property
Cp,gas	184.75	J/mol×K	517.19	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.15; 202.63]	kPa	[258.25; 370.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54766e+01
Coefficient B			-3.37641e+03
Coefficient C			-3.80470e+01
Temperature range, min.			258.25
Temperature range, max.			370.20
Pvap	1.15	kPa	258.25	Calculated Property
Pvap	2.62	kPa	270.69	Calculated Property
Pvap	5.47	kPa	283.13	Calculated Property
Pvap	10.65	kPa	295.57	Calculated Property
Pvap	19.48	kPa	308.01	Calculated Property
Pvap	33.80	kPa	320.44	Calculated Property
Pvap	55.97	kPa	332.88	Calculated Property
Pvap	88.98	kPa	345.32	Calculated Property
Pvap	136.44	kPa	357.76	Calculated Property
Pvap	202.63	kPa	370.20	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Pentadiene, 2-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.