Chemical Properties of Citronellol, Gly, TFA

InChI

InChI=1S/C24H26F12O10/c1-10(2)5-4-6-11(3)7-8-41-16-15(46-20(40)24(34,35)36)14(45-19(39)23(31,32)33)13(44-18(38)22(28,29)30)12(43-16)9-42-17(37)21(25,26)27/h5,11-16H,4,6-9H2,1-3H3/t11-,12-,13-,14+,15-,16-/m1/s1

InChI Key

ZJAHYNJNLFTXKW-YTQIUSBHSA-N

Formula

C24H26F12O10

SMILES

CC(C)=CCCC(C)CCOC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F

Molecular Weight¹

702.44

• 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_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
ΔfG°	-3239.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-4095.32	kJ/mol	Joback Calculated Property
ΔfusH°	77.02	kJ/mol	Joback Calculated Property
ΔvapH°	96.42	kJ/mol	Joback Calculated Property
log10WS	-6.70		Crippen Calculated Property
logPoct/wat	5.028		Crippen Calculated Property
McVol	396.600	ml/mol	McGowan Calculated Property
Pc	734.42	kPa	Joback Calculated Property
Inp	[1900.00; 1900.00]
Inp	1900.00		NIST
Inp	1900.00		NIST
Tboil	1085.84	K	Joback Calculated Property
Tc	1373.56	K	Joback Calculated Property
Tfus	670.82	K	Joback Calculated Property
Vc	1.591	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1424.08; 1451.00]	J/mol×K	[1085.84; 1373.56]
Cp,gas	1424.08	J/mol×K	1085.84	Joback Calculated Property
Cp,gas	1434.65	J/mol×K	1133.79	Joback Calculated Property
Cp,gas	1442.46	J/mol×K	1181.75	Joback Calculated Property
Cp,gas	1447.67	J/mol×K	1229.70	Joback Calculated Property
Cp,gas	1450.46	J/mol×K	1277.65	Joback Calculated Property
Cp,gas	1451.00	J/mol×K	1325.61	Joback Calculated Property
Cp,gas	1449.45	J/mol×K	1373.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citronellol, Gly, TFA.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.