Chemical Properties of 2-Decenoic acid (CAS 3913-85-7)

InChI

InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)

InChI Key

WXBXVVIUZANZAU-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCCCCCCC=CC(=O)O

Molecular Weight¹

170.25

CAS

3913-85-7

Other Names

• dec-2-enoic acid

• 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).
• P_vap : Vapor pressure (kPa).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.7850		Relay (1.0) Calculated Property
ΔfG°	-230.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.00	kJ/mol	Joback Calculated Property
ΔvapH°	84.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.988		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Ip	[2793.00; 2793.00]
Ip	2793.00		NIST
Ip	2793.00		NIST
Tboil	531.78	K	Relay (1.0) Calculated Property
Tc	719.14	K	Relay (1.0) Calculated Property
Tfus	285.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.570	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.24; 515.44]	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			-1.57840e+01
Coefficient B			1.02462e+00
Coefficient C			-6.76600e-04
Coefficient D			1.83200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.24	J/mol×K	273.00	Calculated Property
Cp,gas	270.13	J/mol×K	353.78	Calculated Property
Cp,gas	316.74	J/mol×K	434.56	Calculated Property
Cp,gas	357.63	J/mol×K	515.33	Calculated Property
Cp,gas	393.38	J/mol×K	596.11	Calculated Property
Cp,gas	424.58	J/mol×K	676.89	Calculated Property
Cp,gas	451.81	J/mol×K	757.67	Calculated Property
Cp,gas	475.64	J/mol×K	838.44	Calculated Property
Cp,gas	496.66	J/mol×K	919.22	Calculated Property
Cp,gas	515.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065022; 0.0002443]	Pa×s	[285.15; 536.49]	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			-1.20397e+01
Coefficient B			1.99722e+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.			285.15
Temperature range, max.			536.49
η	0.0065022	Pa×s	285.15	Calculated Property
η	0.0034812	Pa×s	313.08	Calculated Property
η	0.0020646	Pa×s	341.00	Calculated Property
η	0.0013252	Pa×s	368.93	Calculated Property
η	0.0009054	Pa×s	396.86	Calculated Property
η	0.0006504	Pa×s	424.78	Calculated Property
η	0.0004866	Pa×s	452.71	Calculated Property
η	0.0003766	Pa×s	480.63	Calculated Property
η	0.0002998	Pa×s	508.56	Calculated Property
η	0.0002443	Pa×s	536.49	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[412.52; 602.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38286e+01
Coefficient B			-4.35701e+03
Coefficient C			-9.07560e+01
Temperature range, min.			412.52
Temperature range, max.			602.31
Pvap	1.33	kPa	412.52	Calculated Property
Pvap	3.07	kPa	433.61	Calculated Property
Pvap	6.40	kPa	454.70	Calculated Property
Pvap	12.34	kPa	475.78	Calculated Property
Pvap	22.20	kPa	496.87	Calculated Property
Pvap	37.70	kPa	517.96	Calculated Property
Pvap	60.91	kPa	539.05	Calculated Property
Pvap	94.26	kPa	560.13	Calculated Property
Pvap	140.50	kPa	581.22	Calculated Property
Pvap	202.63	kPa	602.31	Calculated Property

Similar Compounds

Find more compounds similar to 2-Decenoic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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