Chemical Properties of trans-«beta»-Bergamotene (CAS 15438-94-5)

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

InChI Key

DGZBGCMPRYFWFF-UHFFFAOYSA-N

Formula

C15H24

SMILES

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

Molecular Weight¹

204.35

CAS

15438-94-5

• 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°	296.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.92	kJ/mol	Joback Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	47.72	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1915.26	kPa	Joback Calculated Property
Inp	[1475.00; 1493.20]
Inp	1490.60		NIST
Inp	1493.20		NIST
Inp	1480.00		NIST
Inp	1475.00		NIST
Inp	1480.00		NIST
Tboil	559.12	K	Joback Calculated Property
Tc	765.28	K	Joback Calculated Property
Tfus	305.47	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.48; 603.56]	J/mol×K	[559.12; 765.28]
Cp,gas	495.48	J/mol×K	559.12	Joback Calculated Property
Cp,gas	516.19	J/mol×K	593.48	Joback Calculated Property
Cp,gas	535.61	J/mol×K	627.84	Joback Calculated Property
Cp,gas	553.91	J/mol×K	662.20	Joback Calculated Property
Cp,gas	571.23	J/mol×K	696.56	Joback Calculated Property
Cp,gas	587.73	J/mol×K	730.92	Joback Calculated Property
Cp,gas	603.56	J/mol×K	765.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-«beta»-Bergamotene.

Sources

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

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