Chemical Properties of 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3a«alpha»,4«beta»,7«alpha»)]- (CAS 2387-78-2)

InChI

InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h11-12H,5-9H2,1-4H3

InChI Key

RTBLDXVIGWSICW-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=C2CC3CCC(C)C2(CC1)C3(C)C

Molecular Weight¹

204.35

CAS

2387-78-2

Other Names

• 3H-3a«beta»,7-Methanoazulene, 2,4,5,6,7«alpha»,8-hexahydro-1,4«alpha»,9,9-tetramethyl-, (-)-
• Cyperene

• 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°	225.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.87	kJ/mol	Joback Calculated Property
ΔfusH°	13.73	kJ/mol	Joback Calculated Property
ΔvapH°	48.07	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[1379.00; 1420.00]
Inp	1398.00		NIST
Inp	1409.00		NIST
Inp	1399.00		NIST
Inp	1408.00		NIST
Inp	1399.00		NIST
Inp	1398.00		NIST
Inp	1397.00		NIST
Inp	1399.00		NIST
Inp	1406.30		NIST
Inp	1390.00		NIST
Inp	1398.00		NIST
Inp	1402.00		NIST
Inp	1400.00		NIST
Inp	1404.00		NIST
Inp	1401.00		NIST
Inp	1398.00		NIST
Inp	1401.00		NIST
Inp	1392.00		NIST
Inp	1398.00		NIST
Inp	1399.00		NIST
Inp	Outlier 1414.90		NIST
Inp	1403.00		NIST
Inp	1399.00		NIST
Inp	1399.00		NIST
Inp	1396.00		NIST
Inp	1390.00		NIST
Inp	1391.00		NIST
Inp	1394.00		NIST
Inp	Outlier 1420.00		NIST
Inp	1397.00		NIST
Inp	1393.00		NIST
Inp	1410.00		NIST
Inp	1399.00		NIST
Inp	1407.00		NIST
Inp	1393.00		NIST
Inp	1397.00		NIST
Inp	1399.00		NIST
Inp	1400.00		NIST
Inp	1393.00		NIST
Inp	1387.00		NIST
Inp	1391.00		NIST
Inp	1399.00		NIST
Inp	1399.00		NIST
Inp	1402.00		NIST
Inp	1395.00		NIST
Inp	1399.00		NIST
Inp	Outlier 1416.00		NIST
Inp	1388.00		NIST
Inp	1397.00		NIST
Inp	1385.00		NIST
Inp	1398.00		NIST
Inp	1398.00		NIST
Inp	1390.00		NIST
Inp	1396.00		NIST
Inp	1412.00		NIST
Inp	1408.00		NIST
Inp	1409.00		NIST
Inp	1399.00		NIST
Inp	1399.00		NIST
Inp	Outlier 1379.00		NIST
Inp	1398.00		NIST
Inp	1398.00		NIST
Inp	1398.00		NIST
Inp	1394.00		NIST
Inp	1386.00		NIST
Inp	1398.00		NIST
Inp	1407.00		NIST
Inp	1409.00		NIST
I	[1514.00; 1562.00]
I	Outlier 1562.00		NIST
I	1527.00		NIST
I	1520.00		NIST
I	1523.00		NIST
I	1525.00		NIST
I	1514.00		NIST
I	1529.00		NIST
I	1532.00		NIST
I	1535.00		NIST
I	1535.00		NIST
I	1540.00		NIST
I	Outlier 1562.00		NIST
I	1540.00		NIST
Tboil	576.29	K	Joback Calculated Property
Tc	802.89	K	Joback Calculated Property
Tfus	374.95	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.46; 619.93]	J/mol×K	[576.29; 802.89]
Cp,gas	503.46	J/mol×K	576.29	Joback Calculated Property
Cp,gas	525.54	J/mol×K	614.06	Joback Calculated Property
Cp,gas	546.15	J/mol×K	651.82	Joback Calculated Property
Cp,gas	565.60	J/mol×K	689.59	Joback Calculated Property
Cp,gas	584.18	J/mol×K	727.36	Joback Calculated Property
Cp,gas	602.19	J/mol×K	765.12	Joback Calculated Property
Cp,gas	619.93	J/mol×K	802.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3H-3a,7-Methanoazulene, 2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3a«alpha»,4«beta»,7«alpha»)]-.

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.