Chemical Properties of 1,4-Pentadiene (CAS 591-93-5)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2

InChI Key

QYZLKGVUSQXAMU-UHFFFAOYSA-N

Formula

C5H8

SMILES

C=CCC=C

Molecular Weight¹

68.12

CAS

591-93-5

Other Names

• CH2=CHCH2CH=CH2
• PENTA-1,4-DIENE
• Pentadiene-1,4

• 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).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1040		KDB
ΔcH°gas	-3217.20 ± 1.30	kJ/mol	NIST
μ	0.40	debye	KDB
ΔfG°	170.40	kJ/mol	KDB
Δc,grossH	3191.72	kJ/mol	KDB
Δc,netH	3015.660	kJ/mol	KDB
ΔfH°gas	[105.50; 106.30]	kJ/mol
ΔfH°gas	105.50	kJ/mol	KDB
ΔfH°gas	106.30 ± 1.30	kJ/mol	NIST
ΔfusH°	6.15	kJ/mol	Joback Calculated Property
ΔvapH°	25.20	kJ/mol	NIST
IE	[7.97; 9.72]	eV
IE	9.62 ± 0.02	eV	NIST
IE	9.46	eV	NIST
IE	9.62 ± 0.02	eV	NIST
IE	9.58	eV	NIST
IE	Outlier 7.97	eV	NIST
IE	9.72	eV	NIST
log10WS	[-2.09; -2.09]
log10WS	-2.09		Aq. Sol...
log10WS	-2.09		Estimat...
logPoct/wat	1.748		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	3790.00	kPa	KDB
Inp	[461.00; 480.50]
Inp	463.00		NIST
Inp	479.00		NIST
Inp	464.30		NIST
Inp	461.00		NIST
Inp	480.00		NIST
Inp	462.20		NIST
Inp	462.50		NIST
Inp	463.80		NIST
Inp	464.30		NIST
Inp	462.11		NIST
Inp	463.00		NIST
Inp	464.00		NIST
Inp	465.00		NIST
Inp	465.00		NIST
Inp	471.00		NIST
Inp	480.50		NIST
Inp	480.00		NIST
Inp	480.00		NIST
Inp	480.50		NIST
I	[646.00; 646.00]
I	646.00		NIST
I	646.00		NIST
S°gas	333.97	J/mol×K	NIST
S°liquid	[248.86; 338.70]	J/mol×K
S°liquid	248.86	J/mol×K	NIST
S°liquid	338.70	J/mol×K	NIST
Tboil	299.10	K	KDB
Tc	478.00	K	KDB
Tfus	[124.88; 124.90]	K
Tfus	124.90	K	KDB
Tfus	124.88	K	Aq. Sol...
Ttriple	[124.30; 124.91]	K
Ttriple	124.91 ± 0.05	K	NIST
Ttriple	124.30 ± 0.20	K	NIST
Vc	0.276	m3/kmol	KDB
Zc	0.2631990		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[101.81; 143.72]	J/mol×K	[307.16; 476.65]
Cp,gas	101.81	J/mol×K	307.16	Joback Calculated Property
Cp,gas	109.60	J/mol×K	335.41	Joback Calculated Property
Cp,gas	117.05	J/mol×K	363.66	Joback Calculated Property
Cp,gas	124.18	J/mol×K	391.90	Joback Calculated Property
Cp,gas	130.99	J/mol×K	420.15	Joback Calculated Property
Cp,gas	137.50	J/mol×K	448.40	Joback Calculated Property
Cp,gas	143.72	J/mol×K	476.65	Joback Calculated Property
Cp,liquid	[146.61; 146.82]	J/mol×K	[292.50; 298.15]
Cp,liquid	146.61	J/mol×K	292.50	NIST
Cp,liquid	146.82	J/mol×K	298.15	NIST
η	[0.0001800; 0.0020771]	Pa×s	[142.59; 307.16]
η	0.0020771	Pa×s	142.59	Joback Calculated Property
η	0.0009946	Pa×s	170.02	Joback Calculated Property
η	0.0005843	Pa×s	197.45	Joback Calculated Property
η	0.0003909	Pa×s	224.88	Joback Calculated Property
η	0.0002853	Pa×s	252.30	Joback Calculated Property
η	0.0002216	Pa×s	279.73	Joback Calculated Property
η	0.0001800	Pa×s	307.16	Joback Calculated Property
ΔfusH	[6.07; 6.14]	kJ/mol	[124.30; 124.90]
ΔfusH	6.14	kJ/mol	124.30	NIST
ΔfusH	6.14	kJ/mol	124.30	NIST
ΔfusH	6.14	kJ/mol	124.30	NIST
ΔfusH	6.07	kJ/mol	124.90	NIST
ΔvapH	[26.50; 29.30]	kJ/mol	[221.50; 299.10]
ΔvapH	29.30	kJ/mol	221.50	NIST
ΔvapH	28.40	kJ/mol	224.50	NIST
ΔvapH	29.10	kJ/mol	226.00	NIST
ΔvapH	28.10	kJ/mol	271.50	NIST
ΔvapH	26.50	kJ/mol	294.00	NIST
ΔvapH	27.03	kJ/mol	299.10	KDB
n0	1.38542		298.15	KDB
ρl	661.00	kg/m3	293.00	KDB
ΔfusS	[48.62; 49.41]	J/mol×K	[124.30; 124.90]
ΔfusS	49.41	J/mol×K	124.30	NIST
ΔfusS	48.62	J/mol×K	124.90	NIST
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[214.13; 321.03]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.33916e+01
Coefficient B			-2.25302e+03
Coefficient C			-4.21950e+01
Temperature range, min.			214.13
Temperature range, max.			321.03
Pvap	1.33	kPa	214.13	Calculated Property
Pvap	3.11	kPa	226.01	Calculated Property
Pvap	6.54	kPa	237.89	Calculated Property
Pvap	12.64	kPa	249.76	Calculated Property
Pvap	22.75	kPa	261.64	Calculated Property
Pvap	38.55	kPa	273.52	Calculated Property
Pvap	62.03	kPa	285.40	Calculated Property
Pvap	95.49	kPa	297.27	Calculated Property
Pvap	141.45	kPa	309.15	Calculated Property
Pvap	202.65	kPa	321.03	Calculated Property
Pvap	[3.29e-06; 3740.77]	kPa	[124.86; 479.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.26109e+01
Coefficient B			-4.72040e+03
Coefficient C			-5.69053e+00
Coefficient D			2.57602e-06
Temperature range, min.			124.86
Temperature range, max.			479.00
Pvap	3.29e-06	kPa	124.86	Calculated Property
Pvap	6.13e-03	kPa	164.21	Calculated Property
Pvap	0.49	kPa	203.56	Calculated Property
Pvap	7.95	kPa	242.91	Calculated Property
Pvap	53.61	kPa	282.26	Calculated Property
Pvap	209.87	kPa	321.60	Calculated Property
Pvap	577.60	kPa	360.95	Calculated Property
Pvap	1252.30	kPa	400.30	Calculated Property
Pvap	2297.82	kPa	439.65	Calculated Property
Pvap	3740.77	kPa	479.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Pentadiene.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.
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