Chemical Properties of 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,5«alpha»,7a«beta»,8S*)]- (CAS 22469-52-9)

InChI

InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3

InChI Key

XBWACJDEQIZTPR-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC(C)C1CCC2(C)C3CC4C(C13)C42C

Molecular Weight¹

204.35

CAS

22469-52-9

Other Names

• (+)-Cyclosativene
• Cyclosativene
• 1,2«alpha»,4-Methenoindan, 3a«beta»,4«beta»,5,6,7,7a-hexahydro-5«alpha»-isopropyl-1«beta»,7a«beta»-dimethyl-
• (1S,2S,3aR,4R,5S,7aS,8R)-5-Isopropyl-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)indene
• 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, (1S,2S,3aR,4R,5S,7aS,8R)-
• Cycloisosativene

• 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°	306.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-85.23	kJ/mol	Joback Calculated Property
ΔfusH°	18.44	kJ/mol	Joback Calculated Property
ΔvapH°	44.67	kJ/mol	Joback Calculated Property
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	3.961		Crippen Calculated Property
McVol	178.770	ml/mol	McGowan Calculated Property
Pc	2086.93	kPa	Joback Calculated Property
Inp	[1344.00; 1406.00]
Inp	1369.00		NIST
Inp	1370.00		NIST
Inp	1368.00		NIST
Inp	Outlier 1394.00		NIST
Inp	1370.00		NIST
Inp	1364.00		NIST
Inp	1364.00		NIST
Inp	1367.00		NIST
Inp	1373.60		NIST
Inp	1368.00		NIST
Inp	1375.00		NIST
Inp	1371.00		NIST
Inp	1378.00		NIST
Inp	1377.00		NIST
Inp	1362.00		NIST
Inp	1370.00		NIST
Inp	Outlier 1345.00		NIST
Inp	1377.00		NIST
Inp	1360.00		NIST
Inp	1368.00		NIST
Inp	1370.00		NIST
Inp	1370.00		NIST
Inp	1370.00		NIST
Inp	1369.00		NIST
Inp	1358.00		NIST
Inp	1371.00		NIST
Inp	1369.00		NIST
Inp	1370.00		NIST
Inp	1383.00		NIST
Inp	1357.00		NIST
Inp	1364.00		NIST
Inp	1368.00		NIST
Inp	1371.00		NIST
Inp	1360.00		NIST
Inp	1382.00		NIST
Inp	1368.00		NIST
Inp	1362.00		NIST
Inp	1364.00		NIST
Inp	1368.00		NIST
Inp	1362.00		NIST
Inp	1363.00		NIST
Inp	1370.00		NIST
Inp	1382.00		NIST
Inp	1371.00		NIST
Inp	1374.00		NIST
Inp	1358.00		NIST
Inp	1364.00		NIST
Inp	1362.00		NIST
Inp	1370.00		NIST
Inp	1361.00		NIST
Inp	1361.00		NIST
Inp	1375.00		NIST
Inp	1361.00		NIST
Inp	1366.00		NIST
Inp	1362.00		NIST
Inp	1366.00		NIST
Inp	1362.00		NIST
Inp	1365.00		NIST
Inp	1373.00		NIST
Inp	1368.00		NIST
Inp	1368.00		NIST
Inp	1364.00		NIST
Inp	1371.00		NIST
Inp	1373.00		NIST
Inp	1384.00		NIST
Inp	1370.00		NIST
Inp	1367.00		NIST
Inp	1370.00		NIST
Inp	1373.00		NIST
Inp	1367.00		NIST
Inp	1370.00		NIST
Inp	1367.00		NIST
Inp	1367.00		NIST
Inp	1380.00		NIST
Inp	Outlier 1344.00		NIST
Inp	1372.00		NIST
Inp	1366.00		NIST
Inp	1369.00		NIST
Inp	1366.00		NIST
Inp	1371.00		NIST
Inp	1366.00		NIST
Inp	1370.00		NIST
Inp	1363.00		NIST
Inp	1370.00		NIST
Inp	1360.00		NIST
Inp	1370.00		NIST
Inp	1360.00		NIST
Inp	1368.00		NIST
Inp	1363.00		NIST
Inp	1370.00		NIST
Inp	Outlier 1401.00		NIST
Inp	Outlier 1406.00		NIST
Inp	1374.00		NIST
Inp	1361.00		NIST
Inp	1362.00		NIST
Inp	1368.00		NIST
Inp	1384.00		NIST
Inp	1367.00		NIST
I	[1445.00; 1530.00]
I	1487.00		NIST
I	1483.00		NIST
I	Outlier 1522.00		NIST
I	1473.00		NIST
I	1465.00		NIST
I	1471.00		NIST
I	1477.00		NIST
I	1477.00		NIST
I	1470.00		NIST
I	1490.00		NIST
I	Outlier 1522.00		NIST
I	1492.00		NIST
I	Outlier 1530.00		NIST
I	1479.00		NIST
I	1478.00		NIST
I	Outlier 1445.00		NIST
I	1491.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1485.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1492.00		NIST
I	1477.00		NIST
I	1490.00		NIST
I	1478.00		NIST
Tboil	547.05	K	Joback Calculated Property
Tc	759.24	K	Joback Calculated Property
Tfus	357.69	K	Joback Calculated Property
Vc	0.707	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.57; 618.64]	J/mol×K	[547.05; 759.24]
Cp,gas	503.57	J/mol×K	547.05	Joback Calculated Property
Cp,gas	526.02	J/mol×K	582.42	Joback Calculated Property
Cp,gas	546.77	J/mol×K	617.78	Joback Calculated Property
Cp,gas	566.10	J/mol×K	653.15	Joback Calculated Property
Cp,gas	584.32	J/mol×K	688.51	Joback Calculated Property
Cp,gas	601.73	J/mol×K	723.88	Joback Calculated Property
Cp,gas	618.64	J/mol×K	759.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,5«alpha»,7a«beta»,8S*)]-.

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.