Chemical Properties of Cubane (CAS 277-10-1)

InChI

InChI=1S/C8H8/c1-2-5-3(1)7-4(1)6(2)8(5)7/h1-8H

InChI Key

TXWRERCHRDBNLG-UHFFFAOYSA-N

Formula

C8H8

SMILES

C12C3C4C1C1C2C3C41

Molecular Weight¹

104.15

CAS

277-10-1

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	859.90	kJ/mol	NIST
BasG	833.60	kJ/mol	NIST
ΔcH°solid	-4833.27	kJ/mol	NIST
ΔfH°gas	622.20 ± 4.20	kJ/mol	NIST
ΔfH°solid	542.00 ± 3.00	kJ/mol	NIST
ΔfusH°	25.06	kJ/mol	Joback Calculated Property
ΔsubH°	[55.20; 80.30]	kJ/mol
ΔsubH°	55.20 ± 2.00	kJ/mol	NIST
ΔsubH°	80.20	kJ/mol	NIST
ΔsubH°	80.30 ± 1.60	kJ/mol	NIST
ΔvapH°	44.60 ± 0.80	kJ/mol	NIST
IE	[8.40; 9.00]	eV
IE	8.60 ± 0.10	eV	NIST
IE	8.60 ± 0.10	eV	NIST
IE	8.46	eV	NIST
IE	8.60	eV	NIST
IE	8.40 ± 0.10	eV	NIST
IE	8.64 ± 0.10	eV	NIST
IE	8.74	eV	NIST
IE	8.74 ± 0.15	eV	NIST
IE	Outlier 9.00	eV	NIST
logPoct/wat	0.984		Crippen Calculated Property
McVol	69.280	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[163.50; 240.26]	J/mol×K	[372.24; 556.70]
Cp,gas	163.50	J/mol×K	372.24	Joback Calculated Property
Cp,gas	179.75	J/mol×K	402.98	Joback Calculated Property
Cp,gas	194.45	J/mol×K	433.73	Joback Calculated Property
Cp,gas	207.73	J/mol×K	464.47	Joback Calculated Property
Cp,gas	219.71	J/mol×K	495.21	Joback Calculated Property
Cp,gas	230.51	J/mol×K	525.95	Joback Calculated Property
Cp,gas	240.26	J/mol×K	556.70	Joback Calculated Property
η	[0.0000514; 0.0013227]	Pa×s	[281.54; 372.24]
η	0.0000514	Pa×s	281.54	Joback Calculated Property
η	0.0001014	Pa×s	296.66	Joback Calculated Property
η	0.0001873	Pa×s	311.77	Joback Calculated Property
η	0.0003267	Pa×s	326.89	Joback Calculated Property
η	0.0005426	Pa×s	342.01	Joback Calculated Property
η	0.0008633	Pa×s	357.12	Joback Calculated Property
η	0.0013227	Pa×s	372.24	Joback Calculated Property
ΔfusH	[5.94; 8.70]	kJ/mol	[394.00; 404.90]
ΔfusH	5.94	kJ/mol	394.00	NIST
ΔfusH	8.70	kJ/mol	404.90	NIST
ΔfusH	8.70	kJ/mol	404.90	NIST
ΔsubH	80.00 ± 2.00	kJ/mol	239.00	NIST
ΔfusS	[15.08; 21.49]	J/mol×K	[394.00; 404.90]
ΔfusS	15.08	J/mol×K	394.00	NIST
ΔfusS	21.49	J/mol×K	404.90	NIST

Similar Compounds

Find more compounds similar to Cubane.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.