Chemical Properties of Gymnomitra-3(15),4-diene

InChI

InChI=1S/C15H22/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,9,12H,1,5,7-8,10H2,2-4H3/t12-,13-,14+,15-/m0/s1

InChI Key

JRVADZCIHISZKL-XQLPTFJDSA-N

Formula

C15H22

SMILES

C=C1C=CC2(C)CC1C1(C)CCCC21C

Molecular Weight¹

202.34

• 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	0.3114		Relay (1.0) Calculated Property
ΔfG°	292.33	kJ/mol	Joback Calculated Property
ΔfH°gas	25.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.05	kJ/mol	Joback Calculated Property
ΔvapH°	62.52	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.69		Relay (1.0) Calculated Property
logPoct/wat	4.335		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Pc	2354.20	kPa	Joback Calculated Property
Inp	[1413.00; 1413.00]
Inp	1413.00		NIST
Inp	1413.00		NIST
Tboil	514.12	K	Relay (1.0) Calculated Property
Tc	768.81	K	Relay (1.0) Calculated Property
Tfus	387.76	K	Relay (1.0) Calculated Property
Vc	0.634	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[480.56; 593.40]	J/mol×K	[565.73; 801.71]
Cp,gas	480.56	J/mol×K	565.73	Joback Calculated Property
Cp,gas	501.99	J/mol×K	605.06	Joback Calculated Property
Cp,gas	521.76	J/mol×K	644.39	Joback Calculated Property
Cp,gas	540.33	J/mol×K	683.72	Joback Calculated Property
Cp,gas	558.16	J/mol×K	723.05	Joback Calculated Property
Cp,gas	575.70	J/mol×K	762.38	Joback Calculated Property
Cp,gas	593.40	J/mol×K	801.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Gymnomitra-3(15),4-diene.

Sources

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

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