Chemical Properties of Dolabradiene (CAS 3650-13-3)

InChI

InChI=1S/C20H32/c1-6-18(3)12-13-20(5)16(14-18)10-11-19(4)15(2)8-7-9-17(19)20/h6,16-17H,1-2,7-14H2,3-5H3/t16?,17?,18-,19?,20+/m1/s1

InChI Key

GHYZJFFJSPZRIU-WKRFXVHVSA-N

Formula

C20H32

SMILES

C=CC1(C)CCC2(C)C(CCC3(C)C(=C)CCCC32)C1

Molecular Weight¹

272.47

CAS

3650-13-3

• 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	0.3385		Relay (... Calculated Property
ΔfG°	348.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.28	kJ/mol	Relay (... Calculated Property
ΔfusH°	12.27	kJ/mol	Joback Calculated Property
ΔvapH°	80.25	kJ/mol	Relay (... Calculated Property
IE	8.68	eV	Relay (... Calculated Property
log10WS	-6.48		Relay (... Calculated Property
logPoct/wat	6.142		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[1945.00; 1970.00]
Inp	1945.00		NIST
Inp	1970.00		NIST
Inp	1970.00		NIST
I	[2283.00; 2318.00]
I	2283.00		NIST
I	2318.00		NIST
I	2283.00		NIST
Tboil	608.64	K	Relay (... Calculated Property
Tc	834.62	K	Relay (... Calculated Property
Tfus	333.23	K	Relay (... Calculated Property
Vc	0.875	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[761.33; 918.72]	J/mol×K	[685.79; 924.17]
Cp,gas	761.33	J/mol×K	685.79	Joback Calculated Property
Cp,gas	788.39	J/mol×K	725.52	Joback Calculated Property
Cp,gas	814.52	J/mol×K	765.25	Joback Calculated Property
Cp,gas	840.16	J/mol×K	804.98	Joback Calculated Property
Cp,gas	865.78	J/mol×K	844.71	Joback Calculated Property
Cp,gas	891.81	J/mol×K	884.44	Joback Calculated Property
Cp,gas	918.72	J/mol×K	924.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dolabradiene.

Sources

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

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