Chemical Properties of Syn-7,14-dihydro-7,14-bis(2-propylidene)-1,6:8,13-bismethano[14]annulene (CAS 109216-47-9)

InChI

InChI=1S/C22H24/c1-15(2)21-17-9-5-7-11-19(13-17)22(16(3)4)20-12-8-6-10-18(21)14-20/h5-12H,13-14H2,1-4H3

InChI Key

SDQUZEYARJZOCM-UHFFFAOYSA-N

Formula

C22H24

SMILES

CC(C)=C1C2=CC=CC=C(C2)C(=C(C)C)C2=CC=CC=C1C2

Molecular Weight¹

288.43

CAS

109216-47-9

• ω : Acentric Factor.
• 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
ω	0.3402		Relay (1.0) Calculated Property
ΔfG°	470.10	kJ/mol	Joback Calculated Property
ΔfH°gas	347.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.03	kJ/mol	Joback Calculated Property
ΔvapH°	89.35	kJ/mol	Relay (1.0) Calculated Property
IE	[7.30; 7.50]	eV
IE	7.30	eV	NIST
IE	7.50	eV	NIST
log10WS	-5.83		Relay (1.0) Calculated Property
logPoct/wat	6.298		Crippen Calculated Property
McVol	253.860	ml/mol	McGowan Calculated Property
Pc	1676.91	kPa	Joback Calculated Property
Tboil	625.18	K	Relay (1.0) Calculated Property
Tc	864.42	K	Relay (1.0) Calculated Property
Tfus	435.95	K	Relay (1.0) Calculated Property
Vc	0.840	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[733.95; 831.66]	J/mol×K	[794.80; 1041.26]
Cp,gas	733.95	J/mol×K	794.80	Joback Calculated Property
Cp,gas	752.97	J/mol×K	835.88	Joback Calculated Property
Cp,gas	770.70	J/mol×K	876.95	Joback Calculated Property
Cp,gas	787.28	J/mol×K	918.03	Joback Calculated Property
Cp,gas	802.87	J/mol×K	959.11	Joback Calculated Property
Cp,gas	817.61	J/mol×K	1000.18	Joback Calculated Property
Cp,gas	831.66	J/mol×K	1041.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Syn-7,14-dihydro-7,14-bis(2-propylidene)-1,6:8,13-bismethano[14]annulene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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