Chemical Properties of Cholesterol - H2O

InChI

InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20?,22?,23-,24?,25?,26+,27-/m0/s1

InChI Key

RLHIRZFWJBOHHD-WPRMTMGUSA-N

Formula

C27H44

SMILES

CC(C)CCCC(C)C1CCC2C3CC=C4C=CCCC4(C)C3CCC12C

Molecular Weight¹

368.64

Other Names

• Cholesterol M (-H2O)

• 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	0.5318		Relay (1.0) Calculated Property
ΔfG°	377.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.28	kJ/mol	Joback Calculated Property
ΔvapH°	111.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-8.29		Relay (1.0) Calculated Property
logPoct/wat	8.194		Crippen Calculated Property
McVol	339.250	ml/mol	McGowan Calculated Property
Pc	1062.40	kPa	Joback Calculated Property
Inp	[3030.00; 3030.00]
Inp	3030.00		NIST
Inp	3030.00		NIST
Tboil	655.03	K	Relay (1.0) Calculated Property
Tc	911.78	K	Relay (1.0) Calculated Property
Tfus	372.85	K	Relay (1.0) Calculated Property
Vc	1.216	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1191.70; 1374.41]	J/mol×K	[859.03; 1084.16]
Cp,gas	1191.70	J/mol×K	859.03	Joback Calculated Property
Cp,gas	1221.42	J/mol×K	896.55	Joback Calculated Property
Cp,gas	1250.97	J/mol×K	934.07	Joback Calculated Property
Cp,gas	1280.70	J/mol×K	971.60	Joback Calculated Property
Cp,gas	1310.96	J/mol×K	1009.12	Joback Calculated Property
Cp,gas	1342.08	J/mol×K	1046.64	Joback Calculated Property
Cp,gas	1374.41	J/mol×K	1084.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cholesterol - H2O.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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