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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.43	kJ/mol	Joback Calculated Property
logPoct/wat	4.495		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan 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	1424.00		NIST
Inp	1425.00		NIST
Inp	1463.00		NIST
Inp	1470.00		NIST
Ip	[1617.00; 1662.00]
Ip	1625.00		NIST
Ip	1627.00		NIST
Ip	1617.00		NIST
Ip	1617.00		NIST
Ip	1662.00		NIST
Ip	1651.00		NIST
Ip	1633.00		NIST
Ip	1633.00		NIST
Tfus	301.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[242.52; 770.60]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.53880e+02
Coefficient B			2.36668e+00
Coefficient C			-2.25900e-03
Coefficient D			9.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.52	J/mol×K	273.00	Calculated Property
Cp,gas	341.26	J/mol×K	353.78	Calculated Property
Cp,gas	423.22	J/mol×K	434.56	Calculated Property
Cp,gas	491.30	J/mol×K	515.33	Calculated Property
Cp,gas	548.40	J/mol×K	596.11	Calculated Property
Cp,gas	597.41	J/mol×K	676.89	Calculated Property
Cp,gas	641.23	J/mol×K	757.67	Calculated Property
Cp,gas	682.78	J/mol×K	838.44	Calculated Property
Cp,gas	724.93	J/mol×K	919.22	Calculated Property
Cp,gas	770.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cedrane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.