Chemical Properties of 4b,5«beta»-Diacetoxygymnomitr-3(15)-ene

InChI

InChI=1S/C19H28O4/c1-11-14-10-18(5,19(6)9-7-8-17(14,19)4)16(23-13(3)21)15(11)22-12(2)20/h14-16H,1,7-10H2,2-6H3/t14?,15-,16-,17-,18-,19-/m1/s1

InChI Key

JKQYQVNQRKCWEJ-FSQANUGRSA-N

Formula

C19H28O4

SMILES

C=C1C(OC(C)=O)C(OC(C)=O)C2(C)CC1C1(C)CCCC12C

Molecular Weight¹

320.42

Other Names

• (-)-4«beta»,5«beta»-Diacetoxygymnomitr-3(15)-ene

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.07	kJ/mol	Joback Calculated Property
logPoct/wat	3.642		Crippen Calculated Property
McVol	256.570	ml/mol	McGowan Calculated Property
Inp	[1943.00; 1943.00]
Inp	1943.00		NIST
Inp	1943.00		NIST
Inp	1943.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[821.39; 958.60]	J/mol×K	[765.39; 985.81]
Cp,gas	821.39	J/mol×K	765.39	Joback Calculated Property
Cp,gas	843.38	J/mol×K	802.13	Joback Calculated Property
Cp,gas	865.28	J/mol×K	838.86	Joback Calculated Property
Cp,gas	887.42	J/mol×K	875.60	Joback Calculated Property
Cp,gas	910.13	J/mol×K	912.34	Joback Calculated Property
Cp,gas	933.75	J/mol×K	949.08	Joback Calculated Property
Cp,gas	958.60	J/mol×K	985.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4b,5«beta»-Diacetoxygymnomitr-3(15)-ene.

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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