Chemical Properties of (4R,4aR)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene (CAS 28908-26-1)

InChI

InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9-10,12H,1,5-8H2,2-4H3/t12-,15+/m0/s1

InChI Key

WHNNPKNATREGBK-SWLSCSKDSA-N

Formula

C15H22

SMILES

C=C(C)C1=CC2(C)C(=CC1)CCCC2C

Molecular Weight¹

202.34

CAS

28908-26-1

• 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.
• 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°	262.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-8.47	kJ/mol	Joback Calculated Property
ΔfusH°	15.25	kJ/mol	Joback Calculated Property
ΔvapH°	49.67	kJ/mol	Joback Calculated Property
log10WS	-4.97		Crippen Calculated Property
logPoct/wat	4.645		Crippen Calculated Property
McVol	187.590	ml/mol	McGowan Calculated Property
Pc	2135.43	kPa	Joback Calculated Property
Inp	[1533.00; 1540.00]
Inp	1536.90		NIST
Inp	1540.00		NIST
Inp	1533.00		NIST
Inp	1540.00		NIST
Tboil	578.24	K	Joback Calculated Property
Tc	806.39	K	Joback Calculated Property
Tfus	315.35	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.59; 591.25]	J/mol×K	[578.24; 806.39]
Cp,gas	479.59	J/mol×K	578.24	Joback Calculated Property
Cp,gas	501.10	J/mol×K	616.26	Joback Calculated Property
Cp,gas	521.21	J/mol×K	654.29	Joback Calculated Property
Cp,gas	540.12	J/mol×K	692.31	Joback Calculated Property
Cp,gas	557.97	J/mol×K	730.34	Joback Calculated Property
Cp,gas	574.96	J/mol×K	768.36	Joback Calculated Property
Cp,gas	591.25	J/mol×K	806.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to (4R,4aR)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene.

Sources

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

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