Chemical Properties of isoledene (CAS 95910-36-4)

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-10,12,14H,5-8H2,1-4H3/t9-,10?,12-,14-/m1/s1

InChI Key

NUQDPKOFUKFKFD-WEKSXKLRSA-N

Formula

C15H24

SMILES

CC1CCC2C(C3=C1CCC3C)C2(C)C

Molecular Weight¹

204.35

CAS

95910-36-4

Other Names

• (1aR,4R,7R,7bS)-1,1,4,7-Tetramethyl-1a,2,3,4,5,6,7,7b-octahydro-1H-cyclopropa[e]azulene
• (-)-Isoledene

• 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	0.3331		Relay (1.0) Calculated Property
ΔfG°	223.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-47.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.10	kJ/mol	Joback Calculated Property
ΔvapH°	62.17	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2005.50	kPa	Joback Calculated Property
Inp	[1373.00; 1377.00]
Inp	1373.00		NIST
Inp	1377.00		NIST
Tboil	528.04	K	Relay (1.0) Calculated Property
Tc	764.21	K	Relay (1.0) Calculated Property
Tfus	303.28	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.59; 624.00]	J/mol×K	[571.38; 789.11]
Cp,gas	505.59	J/mol×K	571.38	Joback Calculated Property
Cp,gas	528.29	J/mol×K	607.67	Joback Calculated Property
Cp,gas	549.58	J/mol×K	643.96	Joback Calculated Property
Cp,gas	569.63	J/mol×K	680.24	Joback Calculated Property
Cp,gas	588.60	J/mol×K	716.53	Joback Calculated Property
Cp,gas	606.66	J/mol×K	752.82	Joback Calculated Property
Cp,gas	624.00	J/mol×K	789.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to isoledene.

Sources

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

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