Chemical Properties of «alpha»-Cuprenene (CAS 29621-78-1)

InChI

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

InChI Key

DYQFFTPJVWEYMH-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CC=C(C2(C)CCCC2(C)C)CC1

Molecular Weight¹

204.35

CAS

29621-78-1

• 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	0.2996		Relay (1.0) Calculated Property
ΔfG°	166.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-79.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.45	kJ/mol	Joback Calculated Property
ΔvapH°	62.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2181.56	kPa	Joback Calculated Property
Inp	[1497.00; 1555.00]
Inp	1513.60		NIST
Inp	1512.00		NIST
Inp	1504.00		NIST
Inp	Outlier 1555.00		NIST
Inp	1511.00		NIST
Inp	1506.00		NIST
Inp	1497.00		NIST
Inp	1505.00		NIST
Inp	1506.00		NIST
Inp	Outlier 1555.00		NIST
Inp	1497.00		NIST
Inp	1513.60		NIST
I	[1758.00; 1759.00]
I	1759.00		NIST
I	1758.00		NIST
I	1759.00		NIST
I	1759.00		NIST
Tboil	531.77	K	Relay (1.0) Calculated Property
Tc	741.12	K	Relay (1.0) Calculated Property
Tfus	338.72	K	Relay (1.0) Calculated Property
Vc	0.668	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.78; 620.93]	J/mol×K	[586.19; 822.53]
Cp,gas	500.78	J/mol×K	586.19	Joback Calculated Property
Cp,gas	523.43	J/mol×K	625.58	Joback Calculated Property
Cp,gas	544.65	J/mol×K	664.97	Joback Calculated Property
Cp,gas	564.73	J/mol×K	704.36	Joback Calculated Property
Cp,gas	583.94	J/mol×K	743.75	Joback Calculated Property
Cp,gas	602.58	J/mol×K	783.14	Joback Calculated Property
Cp,gas	620.93	J/mol×K	822.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Cuprenene.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.