Chemical Properties of geranial propylene glycol acetal (isomer)

InChI

InChI=1S/C13H22O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h6,8,12-13H,5,7,9H2,1-4H3/b11-8+

InChI Key

DWZRENGNFQNWQZ-DHZHZOJOSA-N

Formula

C13H22O2

SMILES

CC(C)=CCCC(C)=CC1OCC(C)O1

Molecular Weight¹

210.31

• 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 : 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°	58.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.65	kJ/mol	Joback Calculated Property
ΔfusH°	38.17	kJ/mol	Joback Calculated Property
ΔvapH°	53.58	kJ/mol	Joback Calculated Property
log10WS	-3.76		Crippen Calculated Property
logPoct/wat	3.440		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
I	[1884.00; 1897.00]
I	1884.00		NIST
I	1884.00		NIST
I	1897.00		NIST
Tboil	569.43	K	Joback Calculated Property
Tc	774.18	K	Joback Calculated Property
Tfus	257.99	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.81; 580.26]	J/mol×K	[569.43; 774.18]
Cp,gas	479.81	J/mol×K	569.43	Joback Calculated Property
Cp,gas	499.11	J/mol×K	603.56	Joback Calculated Property
Cp,gas	517.32	J/mol×K	637.68	Joback Calculated Property
Cp,gas	534.48	J/mol×K	671.81	Joback Calculated Property
Cp,gas	550.66	J/mol×K	705.93	Joback Calculated Property
Cp,gas	565.90	J/mol×K	740.06	Joback Calculated Property
Cp,gas	580.26	J/mol×K	774.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to geranial propylene glycol acetal (isomer).

Sources

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

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