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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.13	kJ/mol	Joback Calculated Property
logPoct/wat	4.491		Crippen Calculated Property
McVol	231.810	ml/mol	McGowan 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.43; 841.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.02800e+01
Coefficient B			1.75180e+00
Coefficient C			-1.03080e-03
Coefficient D			2.11100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.43	J/mol×K	273.00	Calculated Property
Cp,gas	409.80	J/mol×K	353.78	Calculated Property
Cp,gas	493.64	J/mol×K	434.56	Calculated Property
Cp,gas	567.62	J/mol×K	515.33	Calculated Property
Cp,gas	632.41	J/mol×K	596.11	Calculated Property
Cp,gas	688.67	J/mol×K	676.89	Calculated Property
Cp,gas	737.08	J/mol×K	757.67	Calculated Property
Cp,gas	778.29	J/mol×K	838.44	Calculated Property
Cp,gas	812.98	J/mol×K	919.22	Calculated Property
Cp,gas	841.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022380; 0.0002663]	Pa×s	[369.46; 626.44]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12915e+01
Coefficient B			1.91725e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			369.46
Temperature range, max.			626.44
η	0.0022380	Pa×s	369.46	Calculated Property
η	0.0015423	Pa×s	398.01	Calculated Property
η	0.0011172	Pa×s	426.57	Calculated Property
η	0.0008427	Pa×s	455.12	Calculated Property
η	0.0006572	Pa×s	483.67	Calculated Property
η	0.0005269	Pa×s	512.23	Calculated Property
η	0.0004324	Pa×s	540.78	Calculated Property
η	0.0003620	Pa×s	569.33	Calculated Property
η	0.0003082	Pa×s	597.89	Calculated Property
η	0.0002663	Pa×s	626.44	Calculated Property

Similar Compounds

Find more compounds similar to Bulnesyl acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.