Chemical Properties of 2,5-Etheno[4.2.2]propella-3,7,9-triene (CAS 88090-38-4)

InChI

InChI=1S/C12H10/c1-2-10-4-3-9(1)11-5-7-12(10,11)8-6-11/h1-10H

InChI Key

RDIUVVQMLJOTAO-UHFFFAOYSA-N

Formula

C12H10

SMILES

C1=CC2C=CC1C13C=CC21C=C3

Molecular Weight¹

154.21

CAS

88090-38-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• 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
ΔfG°	402.02	kJ/mol	Joback Calculated Property
ΔfH°gas	261.79	kJ/mol	Joback Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	40.82	kJ/mol	Joback Calculated Property
IE	[8.00; 8.14]	eV
IE	8.00	eV	NIST
IE	8.14	eV	NIST
log10WS	-2.87		Crippen Calculated Property
logPoct/wat	2.471		Crippen Calculated Property
McVol	119.300	ml/mol	McGowan Calculated Property
Pc	3829.28	kPa	Joback Calculated Property
Tboil	498.04	K	Joback Calculated Property
Tc	744.15	K	Joback Calculated Property
Tfus	347.60	K	Joback Calculated Property
Vc	0.475	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[286.56; 362.90]	J/mol×K	[498.04; 744.15]
Cp,gas	286.56	J/mol×K	498.04	Joback Calculated Property
Cp,gas	303.41	J/mol×K	539.06	Joback Calculated Property
Cp,gas	317.98	J/mol×K	580.08	Joback Calculated Property
Cp,gas	330.74	J/mol×K	621.10	Joback Calculated Property
Cp,gas	342.16	J/mol×K	662.11	Joback Calculated Property
Cp,gas	352.73	J/mol×K	703.13	Joback Calculated Property
Cp,gas	362.90	J/mol×K	744.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Etheno[4.2.2]propella-3,7,9-triene.

Sources

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

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