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_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°	-187.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-650.07	kJ/mol	Joback Calculated Property
ΔfusH°	23.91	kJ/mol	Joback Calculated Property
ΔvapH°	72.06	kJ/mol	Joback Calculated Property
log10WS	-4.30		Crippen Calculated Property
logPoct/wat	3.642		Crippen Calculated Property
McVol	256.570	ml/mol	McGowan Calculated Property
Pc	1659.19	kPa	Joback Calculated Property
Inp	[1943.00; 1943.00]
Inp	1943.00		NIST
Inp	1943.00		NIST
Inp	1943.00		NIST
Tboil	801.33	K	Joback Calculated Property
Tc	1025.23	K	Joback Calculated Property
Tfus	567.65	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[837.61; 986.54]	J/mol×K	[801.33; 1025.23]
Cp,gas	837.61	J/mol×K	801.33	Joback Calculated Property
Cp,gas	860.42	J/mol×K	838.65	Joback Calculated Property
Cp,gas	883.57	J/mol×K	875.96	Joback Calculated Property
Cp,gas	907.42	J/mol×K	913.28	Joback Calculated Property
Cp,gas	932.30	J/mol×K	950.59	Joback Calculated Property
Cp,gas	958.56	J/mol×K	987.91	Joback Calculated Property
Cp,gas	986.54	J/mol×K	1025.23	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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