Chemical Properties of Cholesteryl formate (CAS 4351-55-7)

InChI

InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23+,24-,25+,26+,27+,28-/m0/s1

InChI Key

YEYCQJVCAMFWCO-QKDFAWDSSA-N

Formula

C28H46O2

SMILES

CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC=O)CCC4(C)C3CCC12C

Molecular Weight¹

414.66

CAS

4351-55-7

Other Names

• 5-Cholesten-3«beta»-ol formate
• Cholest-5-en-3-ol (3«beta»)-, formate
• Cholest-5-en-3-yl formate, (3«beta»)-
• cholest-5-en-3«beta»-yl formate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.77	kJ/mol	Joback Calculated Property
ΔvapH°	134.25	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.67		Relay (1.0) Calculated Property
logPoct/wat	7.569		Crippen Calculated Property
McVol	365.080	ml/mol	McGowan Calculated Property
Tboil	681.92	K	Relay (1.0) Calculated Property
Tfus	[370.00; 370.00]	K
Tfus	370.00 ± 0.50	K	NIST
Tfus	370.00 ± 0.50	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.44; 1385.07]	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			-3.07587e+02
Coefficient B			3.66840e+00
Coefficient C			-3.08664e-03
Coefficient D			1.11090e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	486.44	J/mol×K	273.00	Calculated Property
Cp,gas	653.08	J/mol×K	353.78	Calculated Property
Cp,gas	794.82	J/mol×K	434.56	Calculated Property
Cp,gas	915.18	J/mol×K	515.33	Calculated Property
Cp,gas	1017.67	J/mol×K	596.11	Calculated Property
Cp,gas	1105.81	J/mol×K	676.89	Calculated Property
Cp,gas	1183.11	J/mol×K	757.67	Calculated Property
Cp,gas	1253.07	J/mol×K	838.44	Calculated Property
Cp,gas	1319.22	J/mol×K	919.22	Calculated Property
Cp,gas	1385.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cholesteryl formate.

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.
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