Chemical Properties of Cedrane (CAS 13567-55-0)

InChI

InChI=1S/C15H26/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h10-13H,5-9H2,1-4H3/t10?,11-,12+,13+,15+/m0/s1

InChI Key

JJTQQGNEXQKQRF-RCVBVVPMSA-N

Formula

C15H26

SMILES

CC1CCC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

206.37

CAS

13567-55-0

Other Names

• 8«beta»H-Cedrane
• 8«alpha»H-Cedrane
• epi-cedrane
• «beta»-Cedrane
• «alpha»-cedrane

• 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°	199.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.39	kJ/mol	Joback Calculated Property
ΔfusH°	15.43	kJ/mol	Joback Calculated Property
ΔvapH°	45.84	kJ/mol	Joback Calculated Property
log10WS	-4.34		Crippen Calculated Property
logPoct/wat	4.495		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[1424.00; 1479.00]
Inp	1463.00		NIST
Inp	1465.00		NIST
Inp	1455.00		NIST
Inp	1458.00		NIST
Inp	1479.00		NIST
Inp	1470.00		NIST
Inp	1424.00		NIST
Inp	1471.00		NIST
Inp	1425.00		NIST
Inp	1435.00		NIST
Inp	1438.00		NIST
Inp	1441.00		NIST
Inp	1437.00		NIST
Inp	1436.00		NIST
Inp	1463.00		NIST
Inp	1470.00		NIST
Inp	1425.00		NIST
Inp	1424.00		NIST
I	[1617.00; 1662.00]
I	1625.00		NIST
I	1627.00		NIST
I	1617.00		NIST
I	1617.00		NIST
I	1662.00		NIST
I	1651.00		NIST
I	1633.00		NIST
I	1633.00		NIST
Tboil	557.83	K	Joback Calculated Property
Tc	780.06	K	Joback Calculated Property
Tfus	340.67	K	Joback Calculated Property
Vc	0.724	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.52; 652.86]	J/mol×K	[557.83; 780.06]
Cp,gas	522.52	J/mol×K	557.83	Joback Calculated Property
Cp,gas	547.59	J/mol×K	594.87	Joback Calculated Property
Cp,gas	570.94	J/mol×K	631.91	Joback Calculated Property
Cp,gas	592.86	J/mol×K	668.95	Joback Calculated Property
Cp,gas	613.64	J/mol×K	705.99	Joback Calculated Property
Cp,gas	633.54	J/mol×K	743.02	Joback Calculated Property
Cp,gas	652.86	J/mol×K	780.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cedrane.

Sources

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

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