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-methano-1H-indene
• 3a,4,7,7a-tetrahydro-4,7-methanoindene
• 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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	204.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.48	kJ/mol	Joback Calculated Property
ΔvapH°	50.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.79 ± 0.05	eV	NIST
logPoct/wat	2.385		Crippen Calculated Property
McVol	110.580	ml/mol	McGowan 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	1018.00		NIST
Inp	1000.00		NIST
Inp	1007.00		NIST
Inp	993.30		NIST
Tboil	[359.20; 443.20]	K
Tboil	443.20	K	NIST
Tboil	359.20 ± 50.00	K	NIST
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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.00; 334.99]	J/mol×K	[446.54; 664.77]
Cp,gas	243.00	J/mol×K	446.54	Joback Calculated Property
Cp,gas	261.54	J/mol×K	482.91	Joback Calculated Property
Cp,gas	278.67	J/mol×K	519.28	Joback Calculated Property
Cp,gas	294.47	J/mol×K	555.65	Joback Calculated Property
Cp,gas	309.06	J/mol×K	592.03	Joback Calculated Property
Cp,gas	322.53	J/mol×K	628.40	Joback Calculated Property
Cp,gas	334.99	J/mol×K	664.77	Joback Calculated Property
η	[0.0004087; 0.0010229]	Pa×s	[250.04; 446.54]
η	0.0004087	Pa×s	250.04	Joback Calculated Property
η	0.0005203	Pa×s	282.79	Joback Calculated Property
η	0.0006300	Pa×s	315.54	Joback Calculated Property
η	0.0007359	Pa×s	348.29	Joback Calculated Property
η	0.0008369	Pa×s	381.04	Joback Calculated Property
η	0.0009326	Pa×s	413.79	Joback Calculated Property
η	0.0010229	Pa×s	446.54	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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