Chemical Properties of «beta»-caryophyllene hydrate

InChI

InChI=1S/C15H26O/c1-11-6-5-8-15(4,16)9-7-13-12(11)10-14(13,2)3/h12-13,16H,1,5-10H2,2-4H3

InChI Key

KTBROVRYPKGILD-UHFFFAOYSA-N

Formula

C15H26O

SMILES

C=C1CCCC(C)(O)CCC2C1CC2(C)C

Molecular Weight¹

222.37

• ω : Acentric Factor.
• 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).
• 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	0.5203		Relay (1.0) Calculated Property
ΔfG°	26.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-342.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.85	kJ/mol	Joback Calculated Property
ΔvapH°	85.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1553.00; 1553.00]
Inp	1553.00		NIST
Inp	1553.00		NIST
I	2021.00		NIST
Tboil	574.93	K	Relay (1.0) Calculated Property
Tc	786.39	K	Relay (1.0) Calculated Property
Tfus	354.08	K	Relay (1.0) Calculated Property
Vc	0.697	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[595.57; 709.81]	J/mol×K	[659.91; 873.53]
Cp,gas	595.57	J/mol×K	659.91	Joback Calculated Property
Cp,gas	616.20	J/mol×K	695.51	Joback Calculated Property
Cp,gas	635.93	J/mol×K	731.12	Joback Calculated Property
Cp,gas	654.95	J/mol×K	766.72	Joback Calculated Property
Cp,gas	673.48	J/mol×K	802.32	Joback Calculated Property
Cp,gas	691.70	J/mol×K	837.93	Joback Calculated Property
Cp,gas	709.81	J/mol×K	873.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-caryophyllene hydrate.

Sources

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

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