Chemical Properties of Khusinol acetate (CAS 78405-34-2)

InChI

InChI=1S/C17H26O2/c1-10(2)14-7-6-12(4)17-15(14)8-11(3)9-16(17)19-13(5)18/h8,10,14-17H,4,6-7,9H2,1-3,5H3/t14-,15?,16-,17?/m1/s1

InChI Key

FRBOFOXWQNXDHB-KZYLPZIUSA-N

Formula

C17H26O2

SMILES

C=C1CCC(C(C)C)C2C=C(C)CC(OC(C)=O)C12

Molecular Weight¹

262.39

CAS

78405-34-2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4442		Relay (1.0) Calculated Property
ΔfG°	-13.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-431.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.74	kJ/mol	Joback Calculated Property
ΔvapH°	83.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	4.123		Crippen Calculated Property
McVol	227.510	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	[1827.00; 1827.00]
Inp	1827.00		NIST
Inp	1827.00		NIST
Tboil	567.83	K	Relay (1.0) Calculated Property
Tc	784.48	K	Relay (1.0) Calculated Property
Tfus	322.60	K	Relay (1.0) Calculated Property
Vc	0.762	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.05; 782.02]	J/mol×K	[688.73; 900.51]
Cp,gas	673.05	J/mol×K	688.73	Joback Calculated Property
Cp,gas	694.43	J/mol×K	724.03	Joback Calculated Property
Cp,gas	714.48	J/mol×K	759.32	Joback Calculated Property
Cp,gas	733.24	J/mol×K	794.62	Joback Calculated Property
Cp,gas	750.74	J/mol×K	829.92	Joback Calculated Property
Cp,gas	766.99	J/mol×K	865.21	Joback Calculated Property
Cp,gas	782.02	J/mol×K	900.51	Joback Calculated Property
η	[0.0003662; 0.0018083]	Pa×s	[378.79; 688.73]
η	0.0018083	Pa×s	378.79	Joback Calculated Property
η	0.0011812	Pa×s	430.45	Joback Calculated Property
η	0.0008453	Pa×s	482.10	Joback Calculated Property
η	0.0006453	Pa×s	533.76	Joback Calculated Property
η	0.0005168	Pa×s	585.42	Joback Calculated Property
η	0.0004290	Pa×s	637.07	Joback Calculated Property
η	0.0003662	Pa×s	688.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Khusinol acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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