Chemical Properties of 2E-hexenyl-d3 proprionate

InChI

InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+/i1D3

InChI Key

LPWKTEHEFDVAQS-ZRNNCLBUSA-N

Formula

C9H16O2

SMILES

[2H]C([2H])([2H])CC/C=C/COC(=O)CC

Molecular Weight¹

159.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_p : 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	0.4918		Relay (1.0) Calculated Property
ΔfG°	-205.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-649.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.64	kJ/mol	Joback Calculated Property
ΔvapH°	57.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2438.65	kPa	Joback Calculated Property
Ip	[1393.00; 1393.00]
Ip	1393.00		NIST
Ip	1393.00		NIST
Tboil	446.11	K	Relay (1.0) Calculated Property
Tc	775.58	K	Relay (1.0) Calculated Property
Tfus	220.94	K	Relay (1.0) Calculated Property
Vc	0.572	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.74; 461.17]	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			5.93400e+00
Coefficient B			8.24040e-01
Coefficient C			-4.55000e-04
Coefficient D			8.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.74	J/mol×K	273.00	Calculated Property
Cp,gas	244.33	J/mol×K	353.78	Calculated Property
Cp,gas	285.18	J/mol×K	434.56	Calculated Property
Cp,gas	321.55	J/mol×K	515.33	Calculated Property
Cp,gas	353.73	J/mol×K	596.11	Calculated Property
Cp,gas	381.98	J/mol×K	676.89	Calculated Property
Cp,gas	406.58	J/mol×K	757.67	Calculated Property
Cp,gas	427.79	J/mol×K	838.44	Calculated Property
Cp,gas	445.90	J/mol×K	919.22	Calculated Property
Cp,gas	461.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0058289; 0.0002144]	Pa×s	[228.44; 452.45]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18156e+01
Coefficient B			1.52384e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			228.44
Temperature range, max.			452.45
η	0.0058289	Pa×s	228.44	Calculated Property
η	0.0030266	Pa×s	253.33	Calculated Property
η	0.0017670	Pa×s	278.22	Calculated Property
η	0.0011270	Pa×s	303.11	Calculated Property
η	0.0007695	Pa×s	328.00	Calculated Property
η	0.0005545	Pa×s	352.89	Calculated Property
η	0.0004172	Pa×s	377.78	Calculated Property
η	0.0003251	Pa×s	402.67	Calculated Property
η	0.0002609	Pa×s	427.56	Calculated Property
η	0.0002144	Pa×s	452.45	Calculated Property

Similar Compounds

Find more compounds similar to 2E-hexenyl-d3 proprionate.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.