Chemical Properties of 1,2-Pentadiene (CAS 591-95-7)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3

InChI Key

LVMTVPFRTKXRPH-UHFFFAOYSA-N

Formula

C5H8

SMILES

C=C=CCC

Molecular Weight¹

68.12

CAS

591-95-7

Other Names

• 1-METHYL-2,3-BUTADIENE
• CH2=C=CHCH2CH3
• ETHYLALLENE
• penta-1,2-diene

• ω : Acentric Factor.
• Δ_cH°_gas : Standard gas 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• 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).
• γ : Surface Tension (N/m).
• 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/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1730		KDB
ΔcH°gas	-3251.60 ± 0.63	kJ/mol	NIST
ΔfG°	210.60	kJ/mol	KDB
Δc,grossH	3222.77	kJ/mol	KDB
Δc,netH	3046.705	kJ/mol	KDB
ΔfH°gas	[140.60; 145.70]	kJ/mol
ΔfH°gas	145.70	kJ/mol	KDB
ΔfH°gas	140.60 ± 0.67	kJ/mol	NIST
ΔfusH°	9.56	kJ/mol	Joback Calculated Property
ΔvapH°	28.70	kJ/mol	NIST
IE	[9.22; 9.42]	eV
IE	9.25 ± 0.02	eV	NIST
IE	9.42	eV	NIST
IE	9.22	eV	NIST
log10WS	-1.64		Crippen Calculated Property
logPoct/wat	1.737		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	4070.00	kPa	KDB
Inp	[525.00; 527.00]
Inp	526.00		NIST
Inp	Outlier 525.00		NIST
Inp	526.00		NIST
Inp	526.00		NIST
Inp	526.00		NIST
Inp	526.00		NIST
Inp	527.00		NIST
Inp	527.00		NIST
Inp	527.00		NIST
Inp	527.00		NIST
Inp	526.00		NIST
S°gas	334.80	J/mol×K	NIST
S°liquid	244.97	J/mol×K	NIST
Tboil	[318.00; 319.00]	K
Tboil	318.00	K	KDB
Tboil	318.10 ± 0.40	K	NIST
Tboil	319.00 ± 2.00	K	NIST
Tboil	318.00 ± 1.00	K	NIST
Tc	503.00	K	KDB
Tfus	[135.82; 135.90]	K
Tfus	135.90	K	KDB
Tfus	135.88 ± 0.03	K	NIST
Tfus	135.87 ± 0.04	K	NIST
Tfus	135.89 ± 0.02	K	NIST
Tfus	135.84 ± 0.03	K	NIST
Tfus	135.82 ± 0.04	K	NIST
Ttriple	135.89 ± 0.05	K	NIST
Vc	0.276	m3/kmol	KDB
Zc	0.2685960		KDB
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.06; 147.61]	J/mol×K	[313.75; 491.67]
Cp,gas	109.06	J/mol×K	313.75	Joback Calculated Property
Cp,gas	115.97	J/mol×K	343.40	Joback Calculated Property
Cp,gas	122.69	J/mol×K	373.06	Joback Calculated Property
Cp,gas	129.22	J/mol×K	402.71	Joback Calculated Property
Cp,gas	135.54	J/mol×K	432.36	Joback Calculated Property
Cp,gas	141.68	J/mol×K	462.02	Joback Calculated Property
Cp,gas	147.61	J/mol×K	491.67	Joback Calculated Property
Cp,liquid	150.83	J/mol×K	298.15	NIST
ΔfusH	[7.56; 7.56]	kJ/mol	[135.89; 135.90]
ΔfusH	7.56	kJ/mol	135.89	NIST
ΔfusH	7.56	kJ/mol	135.90	NIST
ΔfusH	7.56	kJ/mol	135.90	NIST
ΔvapH	[27.57; 32.20]	kJ/mol	[229.00; 318.00]
ΔvapH	32.20	kJ/mol	229.00	NIST
ΔvapH	31.60	kJ/mol	240.00	NIST
ΔvapH	30.60	kJ/mol	290.00	NIST
ΔvapH	29.10	kJ/mol	302.00	NIST
ΔvapH	27.57	kJ/mol	318.00	KDB
n0	1.41773		298.15	KDB
ρl	693.00	kg/m3	293.00	KDB
ΔfusS	55.63	J/mol×K	135.89	NIST
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[228.17; 340.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38337e+01
Coefficient B			-2.59213e+03
Coefficient C			-3.68150e+01
Temperature range, min.			228.17
Temperature range, max.			340.98
Pvap	1.33	kPa	228.17	Calculated Property
Pvap	3.07	kPa	240.70	Calculated Property
Pvap	6.40	kPa	253.24	Calculated Property
Pvap	12.33	kPa	265.77	Calculated Property
Pvap	22.20	kPa	278.31	Calculated Property
Pvap	37.70	kPa	290.84	Calculated Property
Pvap	60.91	kPa	303.38	Calculated Property
Pvap	94.26	kPa	315.91	Calculated Property
Pvap	140.51	kPa	328.45	Calculated Property
Pvap	202.66	kPa	340.98	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Pentadiene.

Sources

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

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