Chemical Properties of 2,2-Metaparacyclophane (CAS 5385-36-4)

InChI

InChI=1S/C16H16/c1-2-15-10-8-13-4-6-14(7-5-13)9-11-16(3-1)12-15/h1-7,12H,8-11H2

InChI Key

ALDQBAILWKRGEG-UHFFFAOYSA-N

Formula

C16H16

SMILES

c1cc2cc(c1)CCc1ccc(cc1)CC2

Molecular Weight¹

208.30

CAS

5385-36-4

• 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).
• 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
ΔcH°solid	-8713.70 ± 1.30	kJ/mol	NIST
ΔfG°	345.76	kJ/mol	Joback Calculated Property
ΔfH°gas	218.30 ± 3.10	kJ/mol	NIST
ΔfH°solid	130.80 ± 2.10	kJ/mol	NIST
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔsubH°	[87.50; 88.00]	kJ/mol
ΔsubH°	88.00 ± 2.00	kJ/mol	NIST
ΔsubH°	87.50	kJ/mol	NIST
ΔsubH°	87.50 ± 0.90	kJ/mol	NIST
ΔvapH°	57.48	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	3.570		Crippen Calculated Property
McVol	177.920	ml/mol	McGowan Calculated Property
Pc	2673.54	kPa	Joback Calculated Property
Tboil	644.48	K	Joback Calculated Property
Tc	901.88	K	Joback Calculated Property
Tfus	366.62	K	Joback Calculated Property
Vc	0.665	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.99; 551.01]	J/mol×K	[644.48; 901.88]
Cp,gas	456.99	J/mol×K	644.48	Joback Calculated Property
Cp,gas	476.19	J/mol×K	687.38	Joback Calculated Property
Cp,gas	493.79	J/mol×K	730.28	Joback Calculated Property
Cp,gas	509.95	J/mol×K	773.18	Joback Calculated Property
Cp,gas	524.78	J/mol×K	816.08	Joback Calculated Property
Cp,gas	538.42	J/mol×K	858.98	Joback Calculated Property
Cp,gas	551.01	J/mol×K	901.88	Joback Calculated Property
η	[0.0002378; 0.0018114]	Pa×s	[366.62; 644.48]
η	0.0018114	Pa×s	366.62	Joback Calculated Property
η	0.0010682	Pa×s	412.93	Joback Calculated Property
η	0.0007007	Pa×s	459.24	Joback Calculated Property
η	0.0004965	Pa×s	505.55	Joback Calculated Property
η	0.0003728	Pa×s	551.86	Joback Calculated Property
η	0.0002926	Pa×s	598.17	Joback Calculated Property
η	0.0002378	Pa×s	644.48	Joback Calculated Property
ΔfusH	12.76	kJ/mol	354.00	NIST
ΔsubH	86.60	kJ/mol	319.50	NIST

Similar Compounds

Find more compounds similar to 2,2-Metaparacyclophane.

Sources

• 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.