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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	381.80	kJ/mol	Joback Calculated Property
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
log10WS	-0.71		Crippen Calculated Property
logPoct/wat	0.984		Crippen Calculated Property
McVol	69.280	ml/mol	McGowan Calculated Property
Pc	3857.88	kPa	Joback Calculated Property
Tboil	372.24	K	Joback Calculated Property
Tc	556.70	K	Joback Calculated Property
Tfus	281.54	K	Joback Calculated Property
Vc	0.322	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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