Chemical Properties of «beta»-Bergamotene

InChI

InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15?/m1/s1

InChI Key

DGZBGCMPRYFWFF-GRKKQISMSA-N

Formula

C15H24

SMILES

C=C1CCC2CC1C2(C)CCC=C(C)C

Molecular Weight¹

204.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	64.01	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1425.00; 1436.00]
Inp	1436.00		NIST
Inp	1435.00		NIST
Inp	1436.00		NIST
Inp	1435.00		NIST
Inp	1425.00		NIST
Inp	1425.00		NIST
Inp	1436.00		NIST
I	[1600.00; 1644.00]
I	1600.00		NIST
I	1644.00		NIST
Tboil	540.40	K	Relay (1.0) Calculated Property
Tfus	243.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.60; 603.68]	J/mol×K	[559.32; 765.56]
Cp,gas	495.60	J/mol×K	559.32	Joback Calculated Property
Cp,gas	516.31	J/mol×K	593.69	Joback Calculated Property
Cp,gas	535.74	J/mol×K	628.07	Joback Calculated Property
Cp,gas	554.03	J/mol×K	662.44	Joback Calculated Property
Cp,gas	571.36	J/mol×K	696.81	Joback Calculated Property
Cp,gas	587.85	J/mol×K	731.18	Joback Calculated Property
Cp,gas	603.68	J/mol×K	765.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Bergamotene.

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.