Chemical Properties of 1,4-Pentadiene, 2-methyl- (CAS 763-30-4)

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3

InChI Key

DRWYRROCDFQZQF-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=CCC(=C)C

Molecular Weight¹

82.14

CAS

763-30-4

Other Names

• 2-METHYL-4-PENTADIENE
• 2-Methyl-1,4-pentadiene
• 2-methylpenta-1,4-diene

• 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
ΔfG°	166.77	kJ/mol	Joback Calculated Property
ΔfH°gas	73.90	kJ/mol	Joback Calculated Property
ΔfusH°	7.43	kJ/mol	Joback Calculated Property
ΔvapH°	27.69	kJ/mol	Joback Calculated Property
IE	[9.16; 9.16]	eV
IE	9.16 ± 0.05	eV	NIST
IE	9.16	eV	NIST
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[559.00; 580.00]
Inp	578.00		NIST
Inp	559.00		NIST
Inp	580.00		NIST
Inp	562.00		NIST
Inp	572.00		NIST
Inp	559.00		NIST
Inp	580.00		NIST
Inp	578.00		NIST
Tboil	[329.20; 331.00]	K
Tboil	329.20	K	NIST
Tboil	331.00 ± 4.00	K	NIST
Tc	503.72	K	Joback Calculated Property
Tfus	139.90	K	Joback Calculated Property
Vc	0.335	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.15; 184.00]	J/mol×K	[329.92; 503.72]
Cp,gas	133.15	J/mol×K	329.92	Joback Calculated Property
Cp,gas	142.61	J/mol×K	358.89	Joback Calculated Property
Cp,gas	151.66	J/mol×K	387.85	Joback Calculated Property
Cp,gas	160.31	J/mol×K	416.82	Joback Calculated Property
Cp,gas	168.57	J/mol×K	445.79	Joback Calculated Property
Cp,gas	176.46	J/mol×K	474.76	Joback Calculated Property
Cp,gas	184.00	J/mol×K	503.72	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[234.43; 353.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.33360e+01
Coefficient B			-2.48932e+03
Coefficient C			-4.36500e+01
Temperature range, min.			234.43
Temperature range, max.			353.87
Pvap	1.33	kPa	234.43	Calculated Property
Pvap	3.12	kPa	247.70	Calculated Property
Pvap	6.56	kPa	260.97	Calculated Property
Pvap	12.69	kPa	274.24	Calculated Property
Pvap	22.83	kPa	287.51	Calculated Property
Pvap	38.67	kPa	300.79	Calculated Property
Pvap	62.19	kPa	314.06	Calculated Property
Pvap	95.66	kPa	327.33	Calculated Property
Pvap	141.59	kPa	340.60	Calculated Property
Pvap	202.67	kPa	353.87	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Pentadiene, 2-methyl-.

Sources

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

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