Chemical Properties of GA12 aldehyde, Me-TMS

InChI

InChI=1S/C21H30O3/c1-13-10-21-11-14(13)6-7-15(21)20(3)9-5-8-19(2,12-22)17(20)16(21)18(23)24-4/h12,14-17H,1,5-11H2,2-4H3/t14?,15-,16+,17+,19-,20-,21-/m1/s1

InChI Key

LODKRMFZGMWBOF-KBWCDIBOSA-N

Formula

C21H30O3

SMILES

C=C1CC23CC1CCC2C1(C)CCCC(C)(C=O)C1C3C(=O)OC

Molecular Weight¹

330.46

• 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	0.5071		Relay (1.0) Calculated Property
ΔfG°	12.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-532.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.62	kJ/mol	Joback Calculated Property
ΔvapH°	101.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	4.163		Crippen Calculated Property
McVol	268.020	ml/mol	McGowan Calculated Property
Pc	1647.09	kPa	Joback Calculated Property
Inp	[2436.00; 2437.00]
Inp	2436.00		NIST
Inp	2437.00		NIST
Inp	2436.00		NIST
Tboil	636.77	K	Relay (1.0) Calculated Property
Tc	925.33	K	Relay (1.0) Calculated Property
Tfus	368.63	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[915.64; 1089.34]	J/mol×K	[830.47; 1064.00]
Cp,gas	915.64	J/mol×K	830.47	Joback Calculated Property
Cp,gas	941.40	J/mol×K	869.39	Joback Calculated Property
Cp,gas	967.84	J/mol×K	908.31	Joback Calculated Property
Cp,gas	995.41	J/mol×K	947.24	Joback Calculated Property
Cp,gas	1024.55	J/mol×K	986.16	Joback Calculated Property
Cp,gas	1055.71	J/mol×K	1025.08	Joback Calculated Property
Cp,gas	1089.34	J/mol×K	1064.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to GA12 aldehyde, Me-TMS.

Sources

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

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