Chemical Properties of 1,3-Pentadiene (CAS 504-60-9)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3

InChI Key

PMJHHCWVYXUKFD-UHFFFAOYSA-N

Formula

C5H8

SMILES

C=CC=CC

Molecular Weight¹

68.12

CAS

504-60-9

Other Names

• Penta-1,3-diene
• Piperylene
• 1-Methylbutadiene
• CH2=CHCH=CHCH3
• Rcra waste number U186

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : 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
ω	0.2020		Relay (1.0) Calculated Property
ΔfG°	159.28	kJ/mol	Joback Calculated Property
ΔfH°gas	90.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.63	kJ/mol	Joback Calculated Property
ΔvapH°	26.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	NIST
log10WS	-2.07		Relay (1.0) Calculated Property
logPoct/wat	1.748		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	3886.79	kPa	Joback Calculated Property
Inp	[515.00; 542.00]
Inp	521.00		NIST
Inp	525.00		NIST
Inp	526.00		NIST
Inp	515.00		NIST
Inp	Outlier 542.00		NIST
Inp	515.00		NIST
Inp	515.00		NIST
Inp	516.00		NIST
Inp	526.00		NIST
Inp	515.00		NIST
I	[689.00; 689.00]
I	689.00		NIST
I	689.00		NIST
Tboil	[314.00; 316.00]	K
Tboil	315.20	K	NIST
Tboil	315.00	K	NIST
Tboil	315.70 ± 2.00	K	NIST
Tboil	314.90 ± 1.50	K	NIST
Tboil	316.00 ± 4.00	K	NIST
Tboil	314.40 ± 2.00	K	NIST
Tboil	315.70 ± 2.00	K	NIST
Tboil	315.00 ± 3.00	K	NIST
Tboil	315.60 ± 2.00	K	NIST
Tboil	315.00 ± 3.00	K	NIST
Tboil	315.30 ± 2.00	K	NIST
Tboil	Outlier 314.00 ± 2.00	K	NIST
Tc	485.09	K	Relay (1.0) Calculated Property
Tfus	183.96	K	Relay (1.0) Calculated Property
Vc	0.274	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[87.74; 218.19]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.88300e+01
Coefficient B			4.78820e-01
Coefficient C			-3.54900e-04
Coefficient D			1.13100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	87.74	J/mol×K	273.00	Calculated Property
Cp,gas	111.15	J/mol×K	353.78	Calculated Property
Cp,gas	131.51	J/mol×K	434.56	Calculated Property
Cp,gas	149.15	J/mol×K	515.33	Calculated Property
Cp,gas	164.44	J/mol×K	596.11	Calculated Property
Cp,gas	177.75	J/mol×K	676.89	Calculated Property
Cp,gas	189.41	J/mol×K	757.67	Calculated Property
Cp,gas	199.81	J/mol×K	838.44	Calculated Property
Cp,gas	209.28	J/mol×K	919.22	Calculated Property
Cp,gas	218.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024945; 0.0001299]	Pa×s	[139.27; 343.42]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09647e+01
Coefficient B			6.92320e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			139.27
Temperature range, max.			343.42
η	0.0024945	Pa×s	139.27	Calculated Property
η	0.0012434	Pa×s	161.95	Calculated Property
η	0.0007354	Pa×s	184.64	Calculated Property
η	0.0004879	Pa×s	207.32	Calculated Property
η	0.0003510	Pa×s	230.00	Calculated Property
η	0.0002679	Pa×s	252.69	Calculated Property
η	0.0002138	Pa×s	275.37	Calculated Property
η	0.0001765	Pa×s	298.05	Calculated Property
η	0.0001498	Pa×s	320.74	Calculated Property
η	0.0001299	Pa×s	343.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.97]	kPa	[201.30; 315.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39828e+01
Coefficient B			-2.57717e+03
Coefficient C			-4.01980e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			201.30
Temperature range, max.			315.30
Pvap	0.13	kPa	201.30	Calculated Property
Pvap	0.43	kPa	213.97	Calculated Property
Pvap	1.17	kPa	226.63	Calculated Property
Pvap	2.83	kPa	239.30	Calculated Property
Pvap	6.13	kPa	251.97	Calculated Property
Pvap	12.18	kPa	264.63	Calculated Property
Pvap	22.50	kPa	277.30	Calculated Property
Pvap	39.04	kPa	289.97	Calculated Property
Pvap	64.24	kPa	302.63	Calculated Property
Pvap	100.97	kPa	315.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Pentadiene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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