Chemical Properties of (1S,4aR,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CAS 6980-46-7)

InChI

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

InChI Key

WRHGORWNJGOVQY-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CCC(C(C)C)C2C=C(C)CCC12

Molecular Weight¹

204.35

CAS

6980-46-7

Other Names

• «gamma»-Amorphene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	211.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-127.04	kJ/mol	Joback Calculated Property
ΔfusH°	19.70	kJ/mol	Joback Calculated Property
ΔvapH°	49.91	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1918.62	kPa	Joback Calculated Property
Inp	[1474.00; 1508.00]
Inp	1480.00		NIST
Inp	1500.00		NIST
Inp	1499.00		NIST
Inp	1493.00		NIST
Inp	Outlier 1474.00		NIST
Inp	1496.00		NIST
Inp	1483.00		NIST
Inp	1496.00		NIST
Inp	1495.00		NIST
Inp	1496.00		NIST
Inp	Outlier 1508.00		NIST
Inp	1496.00		NIST
Inp	1496.00		NIST
Inp	1493.00		NIST
Inp	1492.00		NIST
Inp	1489.00		NIST
Inp	1498.00		NIST
Inp	1494.00		NIST
Inp	1495.00		NIST
Inp	1499.00		NIST
Inp	1497.00		NIST
Inp	1495.00		NIST
Inp	1497.00		NIST
Inp	1496.00		NIST
Inp	1485.00		NIST
Inp	1478.00		NIST
Inp	1488.00		NIST
Inp	1497.00		NIST
Inp	1478.00		NIST
Inp	1493.00		NIST
Inp	1495.00		NIST
Inp	1480.00		NIST
I	[1710.00; 1724.00]
I	1724.00		NIST
I	1714.00		NIST
I	1710.00		NIST
I	1724.00		NIST
I	1714.00		NIST
Tboil	571.35	K	Joback Calculated Property
Tc	785.53	K	Joback Calculated Property
Tfus	288.33	K	Joback Calculated Property
Vc	0.721	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.64; 620.74]	J/mol×K	[571.35; 785.53]
Cp,gas	501.64	J/mol×K	571.35	Joback Calculated Property
Cp,gas	524.63	J/mol×K	607.05	Joback Calculated Property
Cp,gas	546.31	J/mol×K	642.74	Joback Calculated Property
Cp,gas	566.71	J/mol×K	678.44	Joback Calculated Property
Cp,gas	585.88	J/mol×K	714.14	Joback Calculated Property
Cp,gas	603.88	J/mol×K	749.83	Joback Calculated Property
Cp,gas	620.74	J/mol×K	785.53	Joback Calculated Property
η	[0.0003722; 0.0022043]	Pa×s	[288.33; 571.35]
η	0.0022043	Pa×s	288.33	Joback Calculated Property
η	0.0013305	Pa×s	335.50	Joback Calculated Property
η	0.0009095	Pa×s	382.67	Joback Calculated Property
η	0.0006759	Pa×s	429.84	Joback Calculated Property
η	0.0005326	Pa×s	477.01	Joback Calculated Property
η	0.0004381	Pa×s	524.18	Joback Calculated Property
η	0.0003722	Pa×s	571.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,4aR,8aS)-1-Isopropyl-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

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.