Chemical Properties of (1S,2R,4R,7R)-4-Isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.02,4]octane (CAS 1619-26-7)

InChI

InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3

InChI Key

LEZWCCRTFNBOBU-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(C)C12CCC3(C)OC3C1O2

Molecular Weight¹

168.23

CAS

1619-26-7

• 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	0.3976		Relay (... Calculated Property
ΔfG°	34.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-257.03	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.07	kJ/mol	Joback Calculated Property
ΔvapH°	56.50	kJ/mol	Relay (... Calculated Property
IE	9.15	eV	Relay (... Calculated Property
log10WS	-2.72		Relay (... Calculated Property
logPoct/wat	1.731		Crippen Calculated Property
McVol	130.920	ml/mol	McGowan Calculated Property
Pc	3206.41	kPa	Joback Calculated Property
Inp	[1302.00; 1309.90]
Inp	1309.90		NIST
Inp	1303.00		NIST
Inp	1308.00		NIST
Inp	1302.00		NIST
Inp	1306.00		NIST
Inp	1306.00		NIST
Tboil	470.33	K	Relay (... Calculated Property
Tc	707.86	K	Relay (... Calculated Property
Tfus	295.48	K	Relay (... Calculated Property
Vc	0.534	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.55; 426.18]	J/mol×K	[493.42; 711.67]
Cp,gas	340.55	J/mol×K	493.42	Joback Calculated Property
Cp,gas	358.15	J/mol×K	529.80	Joback Calculated Property
Cp,gas	374.04	J/mol×K	566.17	Joback Calculated Property
Cp,gas	388.50	J/mol×K	602.55	Joback Calculated Property
Cp,gas	401.82	J/mol×K	638.92	Joback Calculated Property
Cp,gas	414.29	J/mol×K	675.30	Joback Calculated Property
Cp,gas	426.18	J/mol×K	711.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,2R,4R,7R)-4-Isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.02,4]octane.

Sources

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

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