Chemical Properties of (1S,4S,4aS)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene (CAS 267665-20-3)

InChI

InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,9-10,12-14H,6-8H2,1-4H3/t12-,13-,14-/m0/s1

InChI Key

JOCWPECWTZZSSX-IHRRRGAJSA-N

Formula

C15H24

SMILES

CC1=CCC2C(=C1)C(C(C)C)CCC2C

Molecular Weight¹

204.35

CAS

267665-20-3

• 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.
• 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°	179.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-164.97	kJ/mol	Joback Calculated Property
ΔfusH°	21.69	kJ/mol	Joback Calculated Property
ΔvapH°	50.71	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	1921.98	kPa	Joback Calculated Property
Inp	[1458.00; 1458.00]
Inp	1458.00		NIST
Inp	1458.00		NIST
Tboil	576.33	K	Joback Calculated Property
Tc	791.72	K	Joback Calculated Property
Tfus	287.93	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.29; 621.19]	J/mol×K	[576.33; 791.72]
Cp,gas	503.29	J/mol×K	576.33	Joback Calculated Property
Cp,gas	526.08	J/mol×K	612.23	Joback Calculated Property
Cp,gas	547.54	J/mol×K	648.13	Joback Calculated Property
Cp,gas	567.74	J/mol×K	684.03	Joback Calculated Property
Cp,gas	586.71	J/mol×K	719.93	Joback Calculated Property
Cp,gas	604.51	J/mol×K	755.83	Joback Calculated Property
Cp,gas	621.19	J/mol×K	791.72	Joback Calculated Property
η	[0.0003401; 0.0020754]	Pa×s	[287.93; 576.33]
η	0.0020754	Pa×s	287.93	Joback Calculated Property
η	0.0012375	Pa×s	336.00	Joback Calculated Property
η	0.0008398	Pa×s	384.06	Joback Calculated Property
η	0.0006213	Pa×s	432.13	Joback Calculated Property
η	0.0004882	Pa×s	480.20	Joback Calculated Property
η	0.0004008	Pa×s	528.26	Joback Calculated Property
η	0.0003401	Pa×s	576.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,4S,4aS)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene.

Sources

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

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