Chemical Properties of Pentacyclo[3.3.3.0^2,4.0^6,8.0^9.11]undecane, stereoisomer (CAS 70469-89-5)

InChI

InChI=1S/C11H14/c1-4-5(1)11-7-2-6(7)10(4)8-3-9(8)11/h4-11H,1-3H2

InChI Key

TZRQBQARGUABOE-UHFFFAOYSA-N

Formula

C11H14

SMILES

C1C2C1C1C3CC3C2C2CC21

Molecular Weight¹

146.23

CAS

70469-89-5

Other Names

• Pentacyclo[3.3.3.0

• 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_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°	370.76	kJ/mol	Joback Calculated Property
ΔfH°gas	57.25	kJ/mol	Joback Calculated Property
ΔfusH°	26.53	kJ/mol	Joback Calculated Property
ΔvapH°	38.03	kJ/mol	Joback Calculated Property
IE	[8.60; 8.80]	eV
IE	8.60	eV	NIST
IE	8.80	eV	NIST
log10WS	-1.97		Crippen Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	111.550	ml/mol	McGowan Calculated Property
Pc	3009.03	kPa	Joback Calculated Property
Tboil	453.69	K	Joback Calculated Property
Tc	656.71	K	Joback Calculated Property
Tfus	304.79	K	Joback Calculated Property
Vc	0.466	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[291.40; 390.67]	J/mol×K	[453.69; 656.71]
Cp,gas	291.40	J/mol×K	453.69	Joback Calculated Property
Cp,gas	311.69	J/mol×K	487.53	Joback Calculated Property
Cp,gas	330.28	J/mol×K	521.36	Joback Calculated Property
Cp,gas	347.32	J/mol×K	555.20	Joback Calculated Property
Cp,gas	362.97	J/mol×K	589.04	Joback Calculated Property
Cp,gas	377.36	J/mol×K	622.87	Joback Calculated Property
Cp,gas	390.67	J/mol×K	656.71	Joback Calculated Property
η	[0.0003758; 0.0079106]	Pa×s	[304.79; 453.69]
η	0.0003758	Pa×s	304.79	Joback Calculated Property
η	0.0007560	Pa×s	329.61	Joback Calculated Property
η	0.0013791	Pa×s	354.42	Joback Calculated Property
η	0.0023253	Pa×s	379.24	Joback Calculated Property
η	0.0036770	Pa×s	404.06	Joback Calculated Property
η	0.0055142	Pa×s	428.87	Joback Calculated Property
η	0.0079106	Pa×s	453.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[3.3.3.0^2,4.0^6,8.0^9.11]undecane, stereoisomer.

Sources

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

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