Chemical Properties of albene (CAS 38451-64-8)

InChI

InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3

InChI Key

HKLBEHRJWPWLOB-UHFFFAOYSA-N

Formula

C12H18

SMILES

CC12C=CCC1(C)C1CCC2C1

Molecular Weight¹

162.27

CAS

38451-64-8

• 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).
• 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
ΔfG°	231.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-10.85	kJ/mol	Joback Calculated Property
ΔfusH°	8.84	kJ/mol	Joback Calculated Property
ΔvapH°	39.90	kJ/mol	Joback Calculated Property
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	3.389		Crippen Calculated Property
McVol	143.060	ml/mol	McGowan Calculated Property
Pc	2884.30	kPa	Joback Calculated Property
Inp	[1152.00; 1166.90]
Inp	1161.00		NIST
Inp	1152.00		NIST
Inp	1166.90		NIST
Inp	1166.90		NIST
Tboil	493.42	K	Joback Calculated Property
Tc	721.89	K	Joback Calculated Property
Tfus	319.62	K	Joback Calculated Property
Vc	0.551	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.54; 455.40]	J/mol×K	[493.42; 721.89]
Cp,gas	351.54	J/mol×K	493.42	Joback Calculated Property
Cp,gas	372.79	J/mol×K	531.50	Joback Calculated Property
Cp,gas	392.03	J/mol×K	569.58	Joback Calculated Property
Cp,gas	409.59	J/mol×K	607.66	Joback Calculated Property
Cp,gas	425.79	J/mol×K	645.74	Joback Calculated Property
Cp,gas	440.95	J/mol×K	683.81	Joback Calculated Property
Cp,gas	455.40	J/mol×K	721.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to albene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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