Chemical Properties of Dicyclopentadiene (CAS 77-73-6)

InChI

InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2/t7?,8?,9-,10+/m1/s1

InChI Key

HECLRDQVFMWTQS-BMNUFHGDSA-N

Formula

C10H12

SMILES

C1=CC2C3C=CC(C3)C2C1

Molecular Weight¹

132.20

CAS

77-73-6

Other Names

• 3A,4,7,7A-TETRAHYDRO-4,7-METHANOINDENE
• 3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene
• 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-
• 4,7-Methanoindene, 3a,4,7,7a-tetrahydro-
• 4,7-methano-3a,4,7,7a-tetrahydro-1H-indene
• BICYCLOPENTADIENE
• Bis[cyclopentadiene]
• CYCLOPENTADIENE DIMER
• Tricyclo[5.2.1.0

• 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).
• 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.
• I_np : Non-polar retention indices.
• 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
ω	0.2657		Relay (1.0) Calculated Property
ΔfG°	255.68	kJ/mol	Joback Calculated Property
ΔfH°gas	204.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.48	kJ/mol	Joback Calculated Property
ΔvapH°	49.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.79 ± 0.05	eV	NIST
log10WS	-4.46		Relay (1.0) Calculated Property
logPoct/wat	2.385		Crippen Calculated Property
McVol	110.580	ml/mol	McGowan Calculated Property
Pc	3364.54	kPa	Joback Calculated Property
Inp	[993.30; 1047.30]
Inp	1007.00		NIST
Inp	1002.00		NIST
Inp	Outlier 1043.00		NIST
Inp	1014.00		NIST
Inp	Outlier 1047.30		NIST
Inp	993.30		NIST
Inp	1004.30		NIST
Inp	1014.00		NIST
Inp	1018.00		NIST
Inp	1000.00		NIST
Inp	1014.00		NIST
Inp	1011.00		NIST
Inp	1018.00		NIST
Inp	1000.00		NIST
Inp	1007.00		NIST
Inp	993.30		NIST
Inp	1018.00		NIST
Tboil	[359.20; 443.20]	K
Tboil	443.20	K	NIST
Tboil	359.20 ± 50.00	K	NIST
Tc	677.55	K	Relay (1.0) Calculated Property
Tfus	[305.00; 306.80]	K
Tfus	306.80 ± 0.50	K	NIST
Tfus	305.00 ± 4.00	K	NIST
Ttriple	304.80 ± 0.20	K	NIST
Vc	0.417	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.89; 334.89]	J/mol×K	[446.34; 664.47]
Cp,gas	242.89	J/mol×K	446.34	Joback Calculated Property
Cp,gas	261.44	J/mol×K	482.70	Joback Calculated Property
Cp,gas	278.56	J/mol×K	519.05	Joback Calculated Property
Cp,gas	294.37	J/mol×K	555.41	Joback Calculated Property
Cp,gas	308.96	J/mol×K	591.76	Joback Calculated Property
Cp,gas	322.43	J/mol×K	628.12	Joback Calculated Property
Cp,gas	334.89	J/mol×K	664.47	Joback Calculated Property
η	[0.0004087; 0.0010224]	Pa×s	[250.04; 446.34]
η	0.0004087	Pa×s	250.04	Joback Calculated Property
η	0.0005202	Pa×s	282.76	Joback Calculated Property
η	0.0006298	Pa×s	315.47	Joback Calculated Property
η	0.0007356	Pa×s	348.19	Joback Calculated Property
η	0.0008365	Pa×s	380.91	Joback Calculated Property
η	0.0009322	Pa×s	413.62	Joback Calculated Property
η	0.0010224	Pa×s	446.34	Joback Calculated Property
ΔvapH	42.40	kJ/mol	373.50	NIST
n0	[1.49910; 1.50690]		[308.15; 323.15]
n0	1.50690		308.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.50450		313.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.50190		318.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
n0	1.49910		323.15	Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.53]	kPa	[280.15; 443.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			-6.47025e+01
Coefficient B			-2.32780e+03
Coefficient C			1.28698e+01
Coefficient D			-1.95969e-05
Temperature range, min.			280.15
Temperature range, max.			443.00
Pvap	0.13	kPa	280.15	Calculated Property
Pvap	0.40	kPa	298.24	Calculated Property
Pvap	1.07	kPa	316.34	Calculated Property
Pvap	2.59	kPa	334.43	Calculated Property
Pvap	5.71	kPa	352.53	Calculated Property
Pvap	11.62	kPa	370.62	Calculated Property
Pvap	21.96	kPa	388.72	Calculated Property
Pvap	38.82	kPa	406.81	Calculated Property
Pvap	64.56	kPa	424.91	Calculated Property
Pvap	101.53	kPa	443.00	Calculated Property

Similar Compounds

Find more compounds similar to Dicyclopentadiene.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate
• Joback Method
• KDB
• 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.