Chemical Properties of Bulnesyl acetate

InChI

InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h12,14,16H,6-10H2,1-5H3/t12-,14+,16?/m1/s1

InChI Key

JBVWTNIISBARDE-SCYXSXAHSA-N

Formula

C17H28O2

SMILES

CC(=O)OC(C)(C)C1CCC(C)=C2CCC(C)C2C1

Molecular Weight¹

264.40

• 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.
• I : 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	0.4657		Relay (1.0) Calculated Property
ΔfG°	-62.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.54	kJ/mol	Joback Calculated Property
ΔvapH°	81.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	4.491		Crippen Calculated Property
McVol	231.810	ml/mol	McGowan Calculated Property
Pc	1663.26	kPa	Joback Calculated Property
Inp	[1784.00; 1784.00]
Inp	1784.00		NIST
Inp	1784.00		NIST
I	[2156.00; 2156.00]
I	2156.00		NIST
I	2156.00		NIST
Tboil	574.02	K	Relay (1.0) Calculated Property
Tc	801.00	K	Relay (1.0) Calculated Property
Tfus	311.41	K	Relay (1.0) Calculated Property
Vc	0.812	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.93; 809.53]	J/mol×K	[696.43; 914.62]
Cp,gas	697.93	J/mol×K	696.43	Joback Calculated Property
Cp,gas	719.94	J/mol×K	732.80	Joback Calculated Property
Cp,gas	740.52	J/mol×K	769.16	Joback Calculated Property
Cp,gas	759.70	J/mol×K	805.53	Joback Calculated Property
Cp,gas	777.56	J/mol×K	841.89	Joback Calculated Property
Cp,gas	794.15	J/mol×K	878.26	Joback Calculated Property
Cp,gas	809.53	J/mol×K	914.62	Joback Calculated Property
η	[0.0002389; 0.0018116]	Pa×s	[399.29; 696.43]
η	0.0018116	Pa×s	399.29	Joback Calculated Property
η	0.0010728	Pa×s	448.81	Joback Calculated Property
η	0.0007051	Pa×s	498.34	Joback Calculated Property
η	0.0004999	Pa×s	547.86	Joback Calculated Property
η	0.0003752	Pa×s	597.38	Joback Calculated Property
η	0.0002943	Pa×s	646.91	Joback Calculated Property
η	0.0002389	Pa×s	696.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bulnesyl acetate.

Sources

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

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