Chemical Properties of «alpha»-Neocallitropsene

InChI

InChI=1S/C15H26/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,11,13-14H,5-6,8-10H2,1-4H3/t13-,14-,15?/m0/s1

InChI Key

OHMAJNDAPNNXHC-ZYOSVBKOSA-N

Formula

C15H26

SMILES

CC1=CCC2(CC1)C(C)CCC2C(C)C

Molecular Weight¹

206.37

• 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°	153.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-196.04	kJ/mol	Joback Calculated Property
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
ΔvapH°	48.60	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	4.805		Crippen Calculated Property
McVol	196.190	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1472.00; 1485.00]
Inp	1475.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1472.00		NIST
Inp	1485.00		NIST
Inp	1477.00		NIST
I	[1694.00; 1703.00]
I	1695.00		NIST
I	1694.00		NIST
I	1703.00		NIST
I	1703.00		NIST
Tboil	572.43	K	Joback Calculated Property
Tc	793.31	K	Joback Calculated Property
Tfus	298.55	K	Joback Calculated Property
Vc	0.735	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.00; 646.76]	J/mol×K	[572.43; 793.31]
Cp,gas	521.00	J/mol×K	572.43	Joback Calculated Property
Cp,gas	545.14	J/mol×K	609.24	Joback Calculated Property
Cp,gas	567.82	J/mol×K	646.06	Joback Calculated Property
Cp,gas	589.17	J/mol×K	682.87	Joback Calculated Property
Cp,gas	609.34	J/mol×K	719.68	Joback Calculated Property
Cp,gas	628.49	J/mol×K	756.50	Joback Calculated Property
Cp,gas	646.76	J/mol×K	793.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Neocallitropsene.

Sources

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

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