Chemical Properties of 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]- (CAS 1137-12-8)

InChI

InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3

InChI Key

WCEIQUQVIOGRBF-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1(C)CCCC2(C)C3CC4C(C31)C42C

Molecular Weight¹

204.35

CAS

1137-12-8

Other Names

• Longicyclene
• 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R)]-
• «alpha»-Longicyclene
• [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene

• 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°	290.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-70.87	kJ/mol	Joback Calculated Property
ΔfusH°	13.56	kJ/mol	Joback Calculated Property
ΔvapH°	44.08	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	178.770	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[1362.00; 1409.00]
Inp	Outlier 1399.10		NIST
Inp	Outlier 1409.00		NIST
Inp	1371.00		NIST
Inp	1374.00		NIST
Inp	1368.00		NIST
Inp	1372.00		NIST
Inp	1376.00		NIST
Inp	1377.20		NIST
Inp	1362.00		NIST
Inp	1372.00		NIST
Inp	1371.00		NIST
Inp	1375.00		NIST
Inp	1376.00		NIST
Inp	1392.00		NIST
Inp	1371.00		NIST
Inp	1371.00		NIST
Inp	1374.00		NIST
Inp	1371.00		NIST
Inp	1373.00		NIST
Inp	1370.00		NIST
Inp	1368.00		NIST
Inp	Outlier 1401.00		NIST
Inp	1370.00		NIST
Inp	1374.00		NIST
Inp	1376.00		NIST
Inp	1378.00		NIST
Inp	1374.00		NIST
Inp	1380.00		NIST
Inp	1378.00		NIST
Inp	1378.00		NIST
Inp	1372.00		NIST
Inp	1371.00		NIST
Inp	Outlier 1399.10		NIST
Inp	1370.00		NIST
I	[1494.00; 1580.00]
I	1558.50		NIST
I	1558.50		NIST
I	1580.00		NIST
I	1554.50		NIST
I	1519.00		NIST
I	1519.00		NIST
I	1554.00		NIST
I	1496.00		NIST
I	1494.00		NIST
I	1497.00		NIST
I	1554.00		NIST
I	1558.50		NIST
I	1519.00		NIST
Tboil	552.00	K	Joback Calculated Property
Tc	775.96	K	Joback Calculated Property
Tfus	393.07	K	Joback Calculated Property
Vc	0.703	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.97; 622.26]	J/mol×K	[552.00; 775.96]
Cp,gas	503.97	J/mol×K	552.00	Joback Calculated Property
Cp,gas	526.89	J/mol×K	589.33	Joback Calculated Property
Cp,gas	547.94	J/mol×K	626.65	Joback Calculated Property
Cp,gas	567.56	J/mol×K	663.98	Joback Calculated Property
Cp,gas	586.20	J/mol×K	701.31	Joback Calculated Property
Cp,gas	604.29	J/mol×K	738.63	Joback Calculated Property
Cp,gas	622.26	J/mol×K	775.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.