Chemical Properties of 4,5-dihydrovomifoliol

InChI

InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h8-9,11-12,18H,4-7H2,1-3H3

InChI Key

SMEJXMYNQKQENF-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

CC1C(=O)OC2C1CCC1(C)C(=O)CCC(C)(O)C21

Molecular Weight¹

266.33

• 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 : 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	0.6113		Relay (1.0) Calculated Property
ΔfG°	-292.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-779.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.32	kJ/mol	Joback Calculated Property
ΔvapH°	104.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-2.10		Relay (1.0) Calculated Property
logPoct/wat	1.694		Crippen Calculated Property
McVol	204.510	ml/mol	McGowan Calculated Property
Pc	2441.06	kPa	Joback Calculated Property
I	[3002.00; 3064.00]
I	3017.00		NIST
I	3024.00		NIST
I	3062.00		NIST
I	3064.00		NIST
I	3002.00		NIST
I	3017.00		NIST
I	3002.00		NIST
Tboil	602.88	K	Relay (1.0) Calculated Property
Tc	873.52	K	Relay (1.0) Calculated Property
Tfus	420.11	K	Relay (1.0) Calculated Property
Vc	0.736	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.29; 843.43]	J/mol×K	[821.14; 1058.33]
Cp,gas	715.29	J/mol×K	821.14	Joback Calculated Property
Cp,gas	736.36	J/mol×K	860.67	Joback Calculated Property
Cp,gas	757.23	J/mol×K	900.20	Joback Calculated Property
Cp,gas	778.13	J/mol×K	939.74	Joback Calculated Property
Cp,gas	799.31	J/mol×K	979.27	Joback Calculated Property
Cp,gas	821.00	J/mol×K	1018.80	Joback Calculated Property
Cp,gas	843.43	J/mol×K	1058.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-dihydrovomifoliol.

Sources

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

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