Chemical Properties of Acepleiadane (CAS 518-02-5)

InChI

InChI=1S/C16H16/c1-2-4-12-6-8-14-10-9-13-7-5-11(3-1)15(12)16(13)14/h5-8H,1-4,9-10H2

InChI Key

MODFRFVMVVZBAZ-UHFFFAOYSA-N

Formula

C16H16

SMILES

c1cc2c3c(ccc4c3c1CCCC4)CC2

Molecular Weight¹

208.30

CAS

518-02-5

• ω : Acentric Factor.
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.43; 569.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.32170e+02
Coefficient B			1.55800e+00
Coefficient C			-1.29756e-03
Coefficient D			4.41200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	205.43	J/mol×K	273.00	Calculated Property
Cp,gas	276.15	J/mol×K	353.78	Calculated Property
Cp,gas	336.04	J/mol×K	434.56	Calculated Property
Cp,gas	386.51	J/mol×K	515.33	Calculated Property
Cp,gas	428.94	J/mol×K	596.11	Calculated Property
Cp,gas	464.74	J/mol×K	676.89	Calculated Property
Cp,gas	495.30	J/mol×K	757.67	Calculated Property
Cp,gas	522.01	J/mol×K	838.44	Calculated Property
Cp,gas	546.27	J/mol×K	919.22	Calculated Property
Cp,gas	569.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023079; 0.0012273]	Pa×s	[423.64; 632.00]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.98700e+00
Coefficient B			8.11520e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			423.64
Temperature range, max.			632.00
η	0.0023079	Pa×s	423.64	Calculated Property
η	0.0020898	Pa×s	446.79	Calculated Property
η	0.0019110	Pa×s	469.94	Calculated Property
η	0.0017621	Pa×s	493.09	Calculated Property
η	0.0016368	Pa×s	516.25	Calculated Property
η	0.0015300	Pa×s	539.40	Calculated Property
η	0.0014381	Pa×s	562.55	Calculated Property
η	0.0013584	Pa×s	585.70	Calculated Property
η	0.0012887	Pa×s	608.85	Calculated Property
η	0.0012273	Pa×s	632.00	Calculated Property

Similar Compounds

Find more compounds similar to Acepleiadane.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.