Chemical Properties of Perhydrophenanthrene, 1A-(3R/S,7-dimethyloctyl)-2A,4bB,8,8,10aB-pentamethyl

InChI

InChI=1S/C29H54/c1-21(2)11-9-12-22(3)13-15-24-23(4)14-16-26-28(24,7)20-17-25-27(5,6)18-10-19-29(25,26)8/h21-26H,9-20H2,1-8H3/t22?,23-,24-,25?,26?,28-,29-/m0/s1

InChI Key

ODDWOZCOVPOZCZ-IYACWTRZSA-N

Formula

C29H54

SMILES

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

Molecular Weight¹

402.74

• 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).
• 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
ΔfG°	262.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.49	kJ/mol	Joback Calculated Property
ΔfusH°	33.12	kJ/mol	Joback Calculated Property
ΔvapH°	75.28	kJ/mol	Joback Calculated Property
log10WS	-9.47		Crippen Calculated Property
logPoct/wat	9.524		Crippen Calculated Property
McVol	386.890	ml/mol	McGowan Calculated Property
Pc	831.46	kPa	Joback Calculated Property
Inp	[2891.00; 2891.00]
Inp	2891.00		NIST
Inp	2891.00		NIST
Tboil	885.65	K	Joback Calculated Property
Tc	1100.89	K	Joback Calculated Property
Tfus	477.55	K	Joback Calculated Property
Vc	1.468	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1402.26; 1620.03]	J/mol×K	[885.65; 1100.89]
Cp,gas	1402.26	J/mol×K	885.65	Joback Calculated Property
Cp,gas	1436.58	J/mol×K	921.52	Joback Calculated Property
Cp,gas	1471.23	J/mol×K	957.40	Joback Calculated Property
Cp,gas	1506.55	J/mol×K	993.27	Joback Calculated Property
Cp,gas	1542.89	J/mol×K	1029.14	Joback Calculated Property
Cp,gas	1580.60	J/mol×K	1065.02	Joback Calculated Property
Cp,gas	1620.03	J/mol×K	1100.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1A-(3R/S,7-dimethyloctyl)-2A,4bB,8,8,10aB-pentamethyl.

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.