Chemical Properties of cis-3-Nonen-1-ol, heptafluorobutyrate

InChI

InChI=1S/C13H17F7O2/c1-2-3-4-5-6-7-8-9-22-10(21)11(14,15)12(16,17)13(18,19)20/h6-7H,2-5,8-9H2,1H3/b7-6-

InChI Key

VTEUDUQTJFXMME-SREVYHEPSA-N

Formula

C13H17F7O2

SMILES

CCCCCC=CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

338.26

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.31	kJ/mol	Joback Calculated Property
ΔvapH°	65.48	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.889		Crippen Calculated Property
McVol	209.560	ml/mol	McGowan Calculated Property
Inp	[1207.40; 1207.40]
Inp	1207.40		NIST
Inp	1207.40		NIST
Tboil	464.81	K	Relay (1.0) Calculated Property
Tc	586.41	K	Relay (1.0) Calculated Property
Tfus	209.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.61; 721.44]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.84840e+01
Coefficient B			1.66402e+00
Coefficient C			-1.30280e-03
Coefficient D			3.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.61	J/mol×K	273.00	Calculated Property
Cp,gas	414.36	J/mol×K	353.78	Calculated Property
Cp,gas	480.50	J/mol×K	434.56	Calculated Property
Cp,gas	536.25	J/mol×K	515.33	Calculated Property
Cp,gas	582.85	J/mol×K	596.11	Calculated Property
Cp,gas	621.51	J/mol×K	676.89	Calculated Property
Cp,gas	653.47	J/mol×K	757.67	Calculated Property
Cp,gas	679.96	J/mol×K	838.44	Calculated Property
Cp,gas	702.20	J/mol×K	919.22	Calculated Property
Cp,gas	721.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to cis-3-Nonen-1-ol, heptafluorobutyrate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.