Chemical Properties of C35 17A,21B,22R-Hopane

InChI

InChI=1S/C35H62/c1-24(2)12-10-13-25(3)26-16-21-32(6)27(26)17-22-34(8)29(32)14-15-30-33(7)20-11-19-31(4,5)28(33)18-23-35(30,34)9/h24-30H,10-23H2,1-9H3/t25-,26+,27?,28?,29?,30?,32+,33?,34?,35?/m0/s1

InChI Key

STDQCAQCXFHIQA-AFMFTUQLSA-N

Formula

C35H62

SMILES

CC(C)CCCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C

Molecular Weight¹

482.87

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.30	kJ/mol	Joback Calculated Property
logPoct/wat	10.940		Crippen Calculated Property
McVol	449.710	ml/mol	McGowan Calculated Property
Inp	[3640.00; 3640.00]
Inp	3640.00		NIST
Inp	3640.00		NIST
Tfus	411.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1857.54; 2320.15]	J/mol×K	[1036.49; 1277.54]
Cp,gas	1857.54	J/mol×K	1036.49	Joback Calculated Property
Cp,gas	1919.10	J/mol×K	1076.67	Joback Calculated Property
Cp,gas	1985.81	J/mol×K	1116.84	Joback Calculated Property
Cp,gas	2058.46	J/mol×K	1157.02	Joback Calculated Property
Cp,gas	2137.87	J/mol×K	1197.19	Joback Calculated Property
Cp,gas	2224.83	J/mol×K	1237.37	Joback Calculated Property
Cp,gas	2320.15	J/mol×K	1277.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to C35 17A,21B,22R-Hopane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.