Chemical Properties of Perhydrophenanthrene, 1A-(3R/S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl

InChI

InChI=1S/C26H48/c1-8-10-19(2)11-13-21-20(3)12-14-23-25(21,6)18-15-22-24(4,5)16-9-17-26(22,23)7/h19-23H,8-18H2,1-7H3/t19?,20-,21-,22?,23?,25-,26-/m0/s1

InChI Key

LDBHPHKACOKILM-JCNJOIDRSA-N

Formula

C26H48

SMILES

CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C

Molecular Weight¹

360.66

• 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).
• I_np : Non-polar retention indices.
• 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	0.5588		Relay (... Calculated Property
ΔfG°	240.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.16	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.87	kJ/mol	Joback Calculated Property
ΔvapH°	102.00	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-8.30		Relay (... Calculated Property
logPoct/wat	8.498		Crippen Calculated Property
McVol	344.620	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[2630.00; 2630.00]
Inp	2630.00		NIST
Inp	2630.00		NIST
Tboil	647.45	K	Relay (... Calculated Property
Tc	883.37	K	Relay (... Calculated Property
Tfus	306.25	K	Relay (... Calculated Property
Vc	1.235	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1195.20; 1389.85]	J/mol×K	[817.45; 1033.34]
Cp,gas	1195.20	J/mol×K	817.45	Joback Calculated Property
Cp,gas	1226.86	J/mol×K	853.43	Joback Calculated Property
Cp,gas	1258.38	J/mol×K	889.41	Joback Calculated Property
Cp,gas	1290.09	J/mol×K	925.39	Joback Calculated Property
Cp,gas	1322.35	J/mol×K	961.37	Joback Calculated Property
Cp,gas	1355.48	J/mol×K	997.36	Joback Calculated Property
Cp,gas	1389.85	J/mol×K	1033.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1A-(3R/S-methylhexyl)-2A,4bB,8,8,10aB-pentamethyl.

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.