Chemical Properties of (+)-5«beta»-Acetoxygymnomitr-3(15)-ene

InChI

InChI=1S/C17H26O2/c1-11-9-14(19-12(2)18)16(4)10-13(11)15(3)7-6-8-17(15,16)5/h13-14H,1,6-10H2,2-5H3/t13?,14-,15-,16-,17-/m1/s1

InChI Key

JOGWSWZSQXEHIQ-XRZUFTMXSA-N

Formula

C17H26O2

SMILES

C=C1CC(OC(C)=O)C2(C)CC1C1(C)CCCC21C

Molecular Weight¹

262.39

• 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°	37.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-343.65	kJ/mol	Joback Calculated Property
ΔfusH°	14.87	kJ/mol	Joback Calculated Property
ΔvapH°	58.76	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	4.101		Crippen Calculated Property
McVol	220.950	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[1755.00; 1755.00]
Inp	1755.00		NIST
Inp	1755.00		NIST
Inp	1755.00		NIST
Tboil	683.95	K	Joback Calculated Property
Tc	912.08	K	Joback Calculated Property
Tfus	477.19	K	Joback Calculated Property
Vc	0.843	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[663.97; 792.00]	J/mol×K	[683.95; 912.08]
Cp,gas	663.97	J/mol×K	683.95	Joback Calculated Property
Cp,gas	685.40	J/mol×K	721.97	Joback Calculated Property
Cp,gas	706.28	J/mol×K	759.99	Joback Calculated Property
Cp,gas	726.99	J/mol×K	798.01	Joback Calculated Property
Cp,gas	747.92	J/mol×K	836.04	Joback Calculated Property
Cp,gas	769.46	J/mol×K	874.06	Joback Calculated Property
Cp,gas	792.00	J/mol×K	912.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-5«beta»-Acetoxygymnomitr-3(15)-ene.

Sources

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

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