Chemical Properties of Daucene (CAS 16661-00-0)

InChI

InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,11H,5-6,8-10H2,1-4H3

InChI Key

MGMBZNCFUFRSSP-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CCC2(C)CCC(C(C)C)=C2CC1

Molecular Weight¹

204.35

CAS

16661-00-0

Other Names

• Dauca-4,8-diene (Daucene)

• 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	0.3054		Relay (1.0) Calculated Property
ΔfG°	179.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.86	kJ/mol	Joback Calculated Property
ΔvapH°	60.91	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2094.58	kPa	Joback Calculated Property
Inp	[1358.00; 1387.00]
Inp	1380.00		NIST
Inp	1378.00		NIST
Inp	1382.00		NIST
Inp	1379.00		NIST
Inp	1380.00		NIST
Inp	1380.00		NIST
Inp	Outlier 1358.00		NIST
Inp	1380.00		NIST
Inp	1382.00		NIST
Inp	1380.00		NIST
Inp	1384.00		NIST
Inp	1380.00		NIST
Inp	1385.30		NIST
Inp	1380.00		NIST
Inp	1384.00		NIST
Inp	1387.00		NIST
Inp	1380.00		NIST
Inp	1370.00		NIST
Inp	1379.00		NIST
Inp	1378.00		NIST
Inp	1370.00		NIST
Inp	1370.00		NIST
Inp	1377.00		NIST
Inp	1382.00		NIST
Inp	1379.00		NIST
Inp	1384.00		NIST
Inp	1381.00		NIST
Inp	Outlier 1364.00		NIST
Inp	1381.00		NIST
Inp	1381.00		NIST
Inp	1385.30		NIST
Inp	1382.00		NIST
Inp	1380.00		NIST
Inp	1379.00		NIST
Inp	1381.00		NIST
I	[1486.00; 1504.00]
I	1487.00		NIST
I	1495.00		NIST
I	1486.00		NIST
I	1504.00		NIST
I	1504.00		NIST
I	1504.00		NIST
I	1487.00		NIST
Tboil	525.62	K	Relay (1.0) Calculated Property
Tc	727.78	K	Relay (1.0) Calculated Property
Tfus	281.13	K	Relay (1.0) Calculated Property
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.51; 612.42]	J/mol×K	[590.89; 815.98]
Cp,gas	500.51	J/mol×K	590.89	Joback Calculated Property
Cp,gas	521.85	J/mol×K	628.41	Joback Calculated Property
Cp,gas	541.90	J/mol×K	665.92	Joback Calculated Property
Cp,gas	560.83	J/mol×K	703.44	Joback Calculated Property
Cp,gas	578.78	J/mol×K	740.95	Joback Calculated Property
Cp,gas	595.93	J/mol×K	778.47	Joback Calculated Property
Cp,gas	612.42	J/mol×K	815.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Daucene.

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.