Bullvalene (CAS 1005-51-2)

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_solid	-5626.50 ± 3.00	kJ/mol	NIST
Δ_fH°_gas	334.10 ± 3.30	kJ/mol	NIST
Δ_fH°_solid	262.30 ± 3.30	kJ/mol	NIST
Δ_fusH°	18.70	kJ/mol	Joback Calculated Property
Δ_subH°	[71.80; 71.83]	kJ/mol
Δ_subH°	71.83	kJ/mol	NIST
Δ_subH°	71.80	kJ/mol	NIST
Δ_subH°	71.80	kJ/mol	NIST
IE	[8.05; 8.13]	eV
IE	8.13	eV	NIST
IE	8.05	eV	NIST
logP_oct/wat	2.161		Crippen Calculated Property
McVol	106.280	ml/mol	McGowan Calculated Property
S°_gas	[336.60; 337.10]	J/mol×K
S°_gas	337.10 ± 2.40	J/mol×K	NIST
S°_gas	336.60 ± 1.00	J/mol×K	NIST
S°_{solid,1 bar}	174.66	J/mol×K	NIST
T_triple	366.50 ± 0.10	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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
C_p,gas	[228.27; 312.84]	J/mol×K	[445.70; 666.25]

C_p,gas	228.27	J/mol×K	445.70	Joback Calculated Property
C_p,gas	245.52	J/mol×K	482.46	Joback Calculated Property
C_p,gas	261.36	J/mol×K	519.22	Joback Calculated Property
C_p,gas	275.91	J/mol×K	555.98	Joback Calculated Property
C_p,gas	289.26	J/mol×K	592.73	Joback Calculated Property
C_p,gas	301.54	J/mol×K	629.49	Joback Calculated Property
C_p,gas	312.84	J/mol×K	666.25	Joback Calculated Property
C_p,solid	190.38	J/mol×K	298.15	NIST
C_sat	[253.00; 279.00]	J/mol×K	[380.00; 450.00]

C_sat	253.00	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	257.00	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	261.00	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	264.00	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	268.00	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	272.00	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	275.00	J/mol×K	440.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
C_sat	279.00	J/mol×K	450.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0003350; 0.0009824]	Pa×s	[250.80; 445.70]

η	0.0003350	Pa×s	250.80	Joback Calculated Property
η	0.0004442	Pa×s	283.28	Joback Calculated Property
η	0.0005557	Pa×s	315.77	Joback Calculated Property
η	0.0006668	Pa×s	348.25	Joback Calculated Property
η	0.0007757	Pa×s	380.73	Joback Calculated Property
η	0.0008811	Pa×s	413.22	Joback Calculated Property
η	0.0009824	Pa×s	445.70	Joback Calculated Property
Δ_fusH	[15.25; 15.25]	kJ/mol	[366.50; 366.50]
Δ_fusH	15.25	kJ/mol	366.50	NIST
Δ_fusH	15.25	kJ/mol	366.50	NIST
Δ_fusH	15.25	kJ/mol	366.50	NIST
Δ_fusS	41.61	J/mol×K	366.50	NIST

Similar Compounds

2a,4a,6a,6b-Tetrahydrocyclopenta[cd]pentalene.

Tricyclo[4.2.0.02,5]octa-3,7-diene, (1«alpha»,2«alpha»,5«alpha»,6«alpha»).

Tricyclo[4.2.0.02,5]octa-3,7-diene, (1«alpha»,2«beta»,5«beta»,6«alpha»)-.

(E,Z,Z)-1,5,9-Cyclododecatriene, 3-methyl.

Find more compounds similar to Bullvalene.

Sources

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
Joback Method
McGowan Method
NIST Webbook
Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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Chemical Properties of Bullvalene (CAS 1005-51-2)

Physical Properties

Temperature Dependent Properties

Similar Compounds

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