Chemical Properties of Dehydronigritene

InChI

InChI=1S/C14H20/c1-10-13(2,3)11-6-8-14(10)7-4-5-12(14)9-11/h5,11H,1,4,6-9H2,2-3H3

InChI Key

UEWFRELXRTUKOE-UHFFFAOYSA-N

Formula

C14H20

SMILES

C=C1C23CCC=C2CC(CC3)C1(C)C

Molecular Weight¹

188.31

• 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.
• 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	0.2664		Relay (1.0) Calculated Property
ΔfG°	287.48	kJ/mol	Joback Calculated Property
ΔfH°gas	84.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.30	kJ/mol	Joback Calculated Property
ΔvapH°	57.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	4.089		Crippen Calculated Property
McVol	166.940	ml/mol	McGowan Calculated Property
Pc	2520.12	kPa	Joback Calculated Property
Inp	[1369.00; 1369.00]
Inp	1369.00		NIST
Inp	1369.00		NIST
Tboil	516.25	K	Relay (1.0) Calculated Property
Tc	761.45	K	Relay (1.0) Calculated Property
Tfus	404.76	K	Relay (1.0) Calculated Property
Vc	0.585	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.06; 535.73]	J/mol×K	[552.26; 784.26]
Cp,gas	431.06	J/mol×K	552.26	Joback Calculated Property
Cp,gas	451.40	J/mol×K	590.93	Joback Calculated Property
Cp,gas	470.15	J/mol×K	629.59	Joback Calculated Property
Cp,gas	487.63	J/mol×K	668.26	Joback Calculated Property
Cp,gas	504.17	J/mol×K	706.93	Joback Calculated Property
Cp,gas	520.10	J/mol×K	745.59	Joback Calculated Property
Cp,gas	535.73	J/mol×K	784.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydronigritene.

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.