Chemical Properties of 1,3-Cyclopentadiene (CAS 542-92-7)

InChI

InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2

InChI Key

ZSWFCLXCOIISFI-UHFFFAOYSA-N

Formula

C5H6

SMILES

C1=CCC=C1

Molecular Weight¹

66.10

CAS

542-92-7

Other Names

• CYCLOPENTADIENE
• PENTOLE
• PYROPENTYLENE
• R-PENTINE

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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_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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	[821.60; 828.00]	kJ/mol
PAff	821.60	kJ/mol	NIST
PAff	828.00	kJ/mol	NIST
BasG	[798.30; 798.40]	kJ/mol
BasG	798.40	kJ/mol	NIST
BasG	798.30	kJ/mol	NIST
ΔcH°gas	-2960.00 ± 30.00	kJ/mol	NIST
ΔfG°	95.40	kJ/mol	Joback Calculated Property
ΔfH°gas	[133.40; 139.00]	kJ/mol
ΔfH°gas	139.00	kJ/mol	NIST
ΔfH°gas	133.40	kJ/mol	NIST
ΔfusH°	4.01	kJ/mol	Joback Calculated Property
ΔvapH°	[28.40; 29.70]	kJ/mol
ΔvapH°	29.00	kJ/mol	NIST
ΔvapH°	28.40 ± 0.30	kJ/mol	NIST
ΔvapH°	28.40 ± 0.30	kJ/mol	NIST
ΔvapH°	29.70	kJ/mol	NIST
IE	[8.44; 9.00]	eV
IE	8.57 ± 0.01	eV	NIST
IE	8.44	eV	NIST
IE	8.58 ± 0.02	eV	NIST
IE	8.56 ± 0.01	eV	NIST
IE	8.57 ± 0.01	eV	NIST
IE	8.57 ± 0.01	eV	NIST
IE	Outlier 9.00	eV	NIST
IE	8.55	eV	NIST
IE	8.53	eV	NIST
IE	8.61	eV	NIST
IE	8.60	eV	NIST
IE	8.56	eV	NIST
log10WS	-1.52		Crippen Calculated Property
logPoct/wat	1.502		Crippen Calculated Property
McVol	61.850	ml/mol	McGowan Calculated Property
Pc	5008.59	kPa	Joback Calculated Property
Inp	[97.20; 552.50]
Inp	545.00		NIST
Inp	542.00		NIST
Inp	534.70		NIST
Inp	510.50		NIST
Inp	552.50		NIST
Inp	549.50		NIST
Inp	527.00		NIST
Inp	521.70		NIST
Inp	543.00		NIST
Inp	541.00		NIST
Inp	545.00		NIST
Inp	542.00		NIST
Inp	523.00		NIST
Inp	546.00		NIST
Inp	540.00		NIST
Inp	521.80		NIST
Inp	521.60		NIST
Inp	518.00		NIST
Inp	521.00		NIST
Inp	527.00		NIST
Inp	530.00		NIST
Inp	520.60		NIST
Inp	516.61		NIST
Inp	519.00		NIST
Inp	522.00		NIST
Inp	528.00		NIST
Inp	530.00		NIST
Inp	538.10		NIST
Inp	533.00		NIST
Inp	522.00		NIST
Inp	528.00		NIST
Inp	525.00		NIST
Inp	523.00		NIST
Inp	538.00		NIST
Inp	530.00		NIST
Inp	535.00		NIST
Inp	540.00		NIST
Inp	Outlier 97.20		NIST
Inp	523.00		NIST
Inp	538.10		NIST
I	[735.00; 745.70]
I	745.70		NIST
I	735.00		NIST
S°gas	274.47	J/mol×K	NIST
S°liquid	182.70	J/mol×K	NIST
Tboil	[313.00; 315.70]	K
Tboil	313.20	K	NIST
Tboil	314.20 ± 5.00	K	NIST
Tboil	313.90 ± 2.00	K	NIST
Tboil	313.15 ± 2.00	K	NIST
Tboil	313.00 ± 2.00	K	NIST
Tboil	314.90 ± 2.00	K	NIST
Tboil	314.00 ± 3.00	K	NIST
Tboil	315.70 ± 3.00	K	NIST
Tc	532.62	K	Joback Calculated Property
Tfus	[183.15; 188.00]	K
Tfus	183.15 ± 10.00	K	NIST
Tfus	188.00 ± 3.00	K	NIST
Ttriple	176.60 ± 0.05	K	NIST
Vc	0.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[81.65; 130.85]	J/mol×K	[332.07; 532.62]
Cp,gas	81.65	J/mol×K	332.07	Joback Calculated Property
Cp,gas	91.26	J/mol×K	365.49	Joback Calculated Property
Cp,gas	100.27	J/mol×K	398.92	Joback Calculated Property
Cp,gas	108.71	J/mol×K	432.34	Joback Calculated Property
Cp,gas	116.60	J/mol×K	465.77	Joback Calculated Property
Cp,gas	123.97	J/mol×K	499.19	Joback Calculated Property
Cp,gas	130.85	J/mol×K	532.62	Joback Calculated Property
Cp,liquid	115.30	J/mol×K	298.15	NIST
η	[0.0002333; 0.0024310]	Pa×s	[162.77; 332.07]
η	0.0024310	Pa×s	162.77	Joback Calculated Property
η	0.0012326	Pa×s	190.99	Joback Calculated Property
η	0.0007443	Pa×s	219.20	Joback Calculated Property
η	0.0005043	Pa×s	247.42	Joback Calculated Property
η	0.0003700	Pa×s	275.64	Joback Calculated Property
η	0.0002876	Pa×s	303.85	Joback Calculated Property
η	0.0002333	Pa×s	332.07	Joback Calculated Property
ΔfusH	[8.01; 8.01]	kJ/mol	[176.60; 176.60]
ΔfusH	8.01	kJ/mol	176.60	NIST
ΔfusH	8.01	kJ/mol	176.60	NIST
ΔvapH	[28.10; 28.20]	kJ/mol	[292.50; 302.50]
ΔvapH	28.20	kJ/mol	292.50	NIST
ΔvapH	28.10	kJ/mol	302.50	NIST
ΔfusS	45.40	J/mol×K	176.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[223.94; 336.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47937e+01
Coefficient B			-3.06948e+03
Coefficient C			-1.23430e+01
Temperature range, min.			223.94
Temperature range, max.			336.05
Pvap	1.33	kPa	223.94	Calculated Property
Pvap	2.99	kPa	236.40	Calculated Property
Pvap	6.14	kPa	248.85	Calculated Property
Pvap	11.76	kPa	261.31	Calculated Property
Pvap	21.16	kPa	273.77	Calculated Property
Pvap	36.10	kPa	286.22	Calculated Property
Pvap	58.79	kPa	298.68	Calculated Property
Pvap	91.91	kPa	311.14	Calculated Property
Pvap	138.65	kPa	323.59	Calculated Property
Pvap	202.65	kPa	336.05	Calculated Property
Pvap	[0.07; 5003.74]	kPa	[188.15; 507.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.26203e+01
Coefficient B			-4.93279e+03
Coefficient C			-7.52765e+00
Coefficient D			9.77663e-06
Temperature range, min.			188.15
Temperature range, max.			507.00
Pvap	0.07	kPa	188.15	Calculated Property
Pvap	1.38	kPa	223.58	Calculated Property
Pvap	11.03	kPa	259.01	Calculated Property
Pvap	50.36	kPa	294.43	Calculated Property
Pvap	160.70	kPa	329.86	Calculated Property
Pvap	404.53	kPa	365.29	Calculated Property
Pvap	867.07	kPa	400.72	Calculated Property
Pvap	1664.32	kPa	436.14	Calculated Property
Pvap	2961.21	kPa	471.57	Calculated Property
Pvap	5003.74	kPa	507.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclopentadiene.

Sources

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

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