Chemical Properties of (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa[b]naphthalene (CAS 26620-70-2)

InChI

InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3

InChI Key

XGEWXQPYPMTSBD-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1CCCC23CC4C(CC12C)C4(C)C3

Molecular Weight¹

204.35

CAS

26620-70-2

Other Names

• Ishwaran
• Ishwarane
• (-)-Ishwarane
• 1,2a-Methano-2aH-cyclopropa[b]naphthalene, decahydro-1,6,6a-trimethyl-, [1R-(1«alpha»,1a«beta»,2a«alpha»,6«beta»,6a«beta»,7a«alpha»)]-

• 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°	286.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.69	kJ/mol	Joback Calculated Property
ΔfusH°	10.39	kJ/mol	Joback Calculated Property
ΔvapH°	44.56	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	4.249		Crippen Calculated Property
McVol	178.770	ml/mol	McGowan Calculated Property
Pc	2336.03	kPa	Joback Calculated Property
Inp	[1455.00; 1473.00]
Inp	1463.00		NIST
Inp	1460.00		NIST
Inp	1467.00		NIST
Inp	1458.00		NIST
Inp	1457.00		NIST
Inp	1455.00		NIST
Inp	1473.00		NIST
I	[1631.00; 1644.00]
I	1636.00		NIST
I	1631.00		NIST
I	1644.00		NIST
Tboil	560.94	K	Joback Calculated Property
Tc	793.13	K	Joback Calculated Property
Tfus	393.79	K	Joback Calculated Property
Vc	0.696	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.93; 626.43]	J/mol×K	[560.94; 793.13]
Cp,gas	504.93	J/mol×K	560.94	Joback Calculated Property
Cp,gas	528.33	J/mol×K	599.64	Joback Calculated Property
Cp,gas	549.82	J/mol×K	638.34	Joback Calculated Property
Cp,gas	569.89	J/mol×K	677.04	Joback Calculated Property
Cp,gas	589.02	J/mol×K	715.74	Joback Calculated Property
Cp,gas	607.70	J/mol×K	754.43	Joback Calculated Property
Cp,gas	626.43	J/mol×K	793.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa[b]naphthalene.

Sources

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

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