Chemical Properties of (-)-Marsupellol acetate

InChI

InChI=1S/C17H26O2/c1-10-13(19-11(2)18)9-12-15-14(10)17(12,5)8-6-7-16(15,3)4/h12-15H,1,6-9H2,2-5H3/t12?,13-,14?,15?,17?/m1/s1

InChI Key

RCEFXIVQCAIFDV-MVGVAPMGSA-N

Formula

C17H26O2

SMILES

C=C1C(OC(C)=O)CC2C3C1C2(C)CCCC3(C)C

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°	35.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-379.23	kJ/mol	Joback Calculated Property
ΔfusH°	22.24	kJ/mol	Joback Calculated Property
ΔvapH°	59.60	kJ/mol	Joback Calculated Property
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.957		Crippen Calculated Property
McVol	220.950	ml/mol	McGowan Calculated Property
Pc	1804.63	kPa	Joback Calculated Property
Inp	[1673.00; 1673.00]
Inp	1673.00		NIST
Inp	1673.00		NIST
Inp	1673.00		NIST
Tboil	679.04	K	Joback Calculated Property
Tc	899.33	K	Joback Calculated Property
Tfus	449.05	K	Joback Calculated Property
Vc	0.844	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[669.85; 792.19]	J/mol×K	[679.04; 899.33]
Cp,gas	669.85	J/mol×K	679.04	Joback Calculated Property
Cp,gas	691.60	J/mol×K	715.75	Joback Calculated Property
Cp,gas	712.47	J/mol×K	752.47	Joback Calculated Property
Cp,gas	732.71	J/mol×K	789.18	Joback Calculated Property
Cp,gas	752.57	J/mol×K	825.90	Joback Calculated Property
Cp,gas	772.32	J/mol×K	862.61	Joback Calculated Property
Cp,gas	792.19	J/mol×K	899.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-Marsupellol acetate.

Sources

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

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