Chemical Properties of (E)-3-((5R,7R,7aR)-3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl)-2-methylprop-2-en-1-ol (CAS 1372763-27-3)

InChI

InChI=1S/C15H24O/c1-10(9-16)6-13-7-12(3)14-5-4-11(2)15(14)8-13/h6,12-14,16H,4-5,7-9H2,1-3H3/b10-6+/t12-,13-,14-/m0/s1

InChI Key

WDYKMPVPVCJTKA-GHKOFPOXSA-N

Formula

C15H24O

SMILES

CC(=CC1CC2=C(C)CCC2C(C)C1)CO

Molecular Weight¹

220.35

CAS

1372763-27-3

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5624		Relay (... Calculated Property
ΔfG°	98.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.07	kJ/mol	Joback Calculated Property
ΔvapH°	94.77	kJ/mol	Relay (... Calculated Property
IE	7.77	eV	Relay (... Calculated Property
log10WS	-3.82		Relay (... Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[1680.40; 1704.20]
Inp	1704.20		NIST
Inp	1680.40		NIST
Tboil	582.03	K	Relay (... Calculated Property
Tc	797.50	K	Relay (... Calculated Property
Tfus	351.77	K	Relay (... Calculated Property
Vc	0.670	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.51; 668.78]	J/mol×K	[669.56; 870.07]
Cp,gas	574.51	J/mol×K	669.56	Joback Calculated Property
Cp,gas	592.58	J/mol×K	702.98	Joback Calculated Property
Cp,gas	609.62	J/mol×K	736.40	Joback Calculated Property
Cp,gas	625.71	J/mol×K	769.82	Joback Calculated Property
Cp,gas	640.89	J/mol×K	803.24	Joback Calculated Property
Cp,gas	655.23	J/mol×K	836.66	Joback Calculated Property
Cp,gas	668.78	J/mol×K	870.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-((5R,7R,7aR)-3,7-Dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl)-2-methylprop-2-en-1-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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