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

• 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).
• 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
ΔfG°	159.28	kJ/mol	Joback Calculated Property
ΔfH°gas	96.12	kJ/mol	Joback Calculated Property
ΔfusH°	7.63	kJ/mol	Joback Calculated Property
ΔvapH°	26.01	kJ/mol	Joback Calculated Property
IE	8.60	eV	NIST
log10WS	-1.62		Crippen 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	515.00		NIST
Inp	526.00		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	490.29	K	Joback Calculated Property
Tfus	139.27	K	Joback Calculated Property
Vc	0.277	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.21; 143.95]	J/mol×K	[314.64; 490.29]
Cp,gas	100.21	J/mol×K	314.64	Joback Calculated Property
Cp,gas	108.47	J/mol×K	343.91	Joback Calculated Property
Cp,gas	116.31	J/mol×K	373.19	Joback Calculated Property
Cp,gas	123.76	J/mol×K	402.46	Joback Calculated Property
Cp,gas	130.84	J/mol×K	431.74	Joback Calculated Property
Cp,gas	137.57	J/mol×K	461.01	Joback Calculated Property
Cp,gas	143.95	J/mol×K	490.29	Joback Calculated Property
η	[0.0001562; 0.0024945]	Pa×s	[139.27; 314.64]
η	0.0024945	Pa×s	139.27	Joback Calculated Property
η	0.0010531	Pa×s	168.50	Joback Calculated Property
η	0.0005737	Pa×s	197.73	Joback Calculated Property
η	0.0003655	Pa×s	226.95	Joback Calculated Property
η	0.0002581	Pa×s	256.18	Joback Calculated Property
η	0.0001957	Pa×s	285.41	Joback Calculated Property
η	0.0001562	Pa×s	314.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Pentadiene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.