Chemical Properties of (+)-scapanene

InChI

InChI=1S/C15H24/c1-10-11-6-7-12-13(10)14(2,3)8-5-9-15(11,12)4/h11-13H,1,5-9H2,2-4H3/t11?,12?,13?,15-/m1/s1

InChI Key

OYBHJKDJMRMSLX-CDKPOMLUSA-N

Formula

C15H24

SMILES

C=C1C2C3CCC1C3(C)CCCC2(C)C

Molecular Weight¹

204.35

• 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.
• 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
ΔfG°	260.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-72.81	kJ/mol	Joback Calculated Property
ΔfusH°	13.20	kJ/mol	Joback Calculated Property
ΔvapH°	46.31	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2113.89	kPa	Joback Calculated Property
Inp	[1522.00; 1522.50]
Inp	1522.00		NIST
Inp	1522.50		NIST
I	[1664.00; 1685.00]
I	1664.00		NIST
I	1665.00		NIST
I	1665.00		NIST
I	1685.00		NIST
I	1664.00		NIST
Tboil	561.66	K	Joback Calculated Property
Tc	785.91	K	Joback Calculated Property
Tfus	358.59	K	Joback Calculated Property
Vc	0.709	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.94; 623.10]	J/mol×K	[561.66; 785.91]
Cp,gas	501.94	J/mol×K	561.66	Joback Calculated Property
Cp,gas	525.20	J/mol×K	599.03	Joback Calculated Property
Cp,gas	546.85	J/mol×K	636.41	Joback Calculated Property
Cp,gas	567.18	J/mol×K	673.78	Joback Calculated Property
Cp,gas	586.48	J/mol×K	711.16	Joback Calculated Property
Cp,gas	605.02	J/mol×K	748.53	Joback Calculated Property
Cp,gas	623.10	J/mol×K	785.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-scapanene.

Sources

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

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