Chemical Properties of Caryophyllane-d

InChI

InChI=1S/C15H28/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h11-14H,5-10H2,1-4H3

InChI Key

SITKOPDZOGHVLY-UHFFFAOYSA-N

Formula

C15H28

SMILES

CC1CCCC(C)C2CC(C)(C)C2CC1

Molecular Weight¹

208.38

• 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	0.3264		Relay (... Calculated Property
ΔfG°	107.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-245.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.29	kJ/mol	Joback Calculated Property
ΔvapH°	60.40	kJ/mol	Relay (... Calculated Property
IE	8.84	eV	Relay (... Calculated Property
log10WS	-6.41		Relay (... Calculated Property
logPoct/wat	4.885		Crippen Calculated Property
McVol	200.490	ml/mol	McGowan Calculated Property
Pc	1846.75	kPa	Joback Calculated Property
Inp	[1450.00; 1450.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
I	1562.00		NIST
Tboil	538.72	K	Relay (... Calculated Property
Tc	744.91	K	Relay (... Calculated Property
Tfus	245.66	K	Relay (... Calculated Property
Vc	0.693	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[541.83; 683.72]	J/mol×K	[563.66; 784.20]
Cp,gas	541.83	J/mol×K	563.66	Joback Calculated Property
Cp,gas	569.05	J/mol×K	600.42	Joback Calculated Property
Cp,gas	594.68	J/mol×K	637.17	Joback Calculated Property
Cp,gas	618.83	J/mol×K	673.93	Joback Calculated Property
Cp,gas	641.64	J/mol×K	710.68	Joback Calculated Property
Cp,gas	663.22	J/mol×K	747.44	Joback Calculated Property
Cp,gas	683.72	J/mol×K	784.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Caryophyllane-d.

Sources

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

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