Chemical Properties of 3-Hexen-1-ol, formate, (Z)- (CAS 33467-73-1)

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-

InChI Key

XJHQVZQZUGLZLS-ARJAWSKDSA-N

Formula

C7H12O2

SMILES

CCC=CCCOC=O

Molecular Weight¹

128.17

CAS

33467-73-1

Other Names

• (3Z)-3-Hexenyl formate
• (Z)-3-Hexenyl format
• (Z)-3-Hexenyl formate
• (Z)-Hex-3-enyl formate
• cis-3-Hexen-1-ol formate
• cis-3-Hexenyl formate
• cis-«beta»-Hexenyl formate
• cis-«beta»-Hexenyl formate
• «beta»,«gamma»-Hexenyl methanoate
• «beta»,«gamma»-Hexenyl methanoate

• 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_np : Non-polar retention indices.
• I : 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	0.4096		Relay (1.0) Calculated Property
ΔfG°	-116.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-380.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.57	kJ/mol	Joback Calculated Property
ΔvapH°	48.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-1.84		Relay (1.0) Calculated Property
logPoct/wat	1.516		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3152.62	kPa	Joback Calculated Property
Inp	[902.00; 920.00]
Inp	903.00		NIST
Inp	912.00		NIST
Inp	920.00		NIST
Inp	902.40		NIST
Inp	904.00		NIST
Inp	902.00		NIST
Inp	903.00		NIST
Inp	920.00		NIST
Inp	904.00		NIST
Inp	912.00		NIST
I	[1252.00; 1261.00]
I	1254.00		NIST
I	1258.00		NIST
I	1261.00		NIST
I	1252.00		NIST
I	1260.00		NIST
I	1252.00		NIST
Tboil	419.94	K	Relay (1.0) Calculated Property
Tc	597.54	K	Relay (1.0) Calculated Property
Tfus	189.19	K	Relay (1.0) Calculated Property
Vc	0.406	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.30; 280.76]	J/mol×K	[434.80; 614.89]
Cp,gas	224.30	J/mol×K	434.80	Joback Calculated Property
Cp,gas	234.73	J/mol×K	464.82	Joback Calculated Property
Cp,gas	244.75	J/mol×K	494.83	Joback Calculated Property
Cp,gas	254.34	J/mol×K	524.85	Joback Calculated Property
Cp,gas	263.54	J/mol×K	554.86	Joback Calculated Property
Cp,gas	272.34	J/mol×K	584.88	Joback Calculated Property
Cp,gas	280.76	J/mol×K	614.89	Joback Calculated Property
η	[0.0003460; 0.0005990]	Pa×s	[293.15; 343.15]
η	0.0005990	Pa×s	293.15	Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
η	0.0005990	Pa×s	293.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005610	Pa×s	298.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005270	Pa×s	303.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0005270	Pa×s	303.15	Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
η	0.0004960	Pa×s	308.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004690	Pa×s	313.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004690	Pa×s	313.15	Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
η	0.0004430	Pa×s	318.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004210	Pa×s	323.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0004000	Pa×s	328.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0003800	Pa×s	333.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0003630	Pa×s	338.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
η	0.0003460	Pa×s	343.15	Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[338.15; 438.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.89075e+01
Coefficient B			-5.07474e+03
Coefficient C			-6.56080e+01
Temperature range, min.			338.15
Temperature range, max.			438.86
Pvap	1.33	kPa	338.15	Calculated Property
Pvap	2.78	kPa	349.34	Calculated Property
Pvap	5.48	kPa	360.53	Calculated Property
Pvap	10.27	kPa	371.72	Calculated Property
Pvap	18.43	kPa	382.91	Calculated Property
Pvap	31.78	kPa	394.10	Calculated Property
Pvap	52.87	kPa	405.29	Calculated Property
Pvap	85.14	kPa	416.48	Calculated Property
Pvap	133.13	kPa	427.67	Calculated Property
Pvap	202.65	kPa	438.86	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexen-1-ol, formate, (Z)-.

Mixtures

• Ethanol + 3-Hexen-1-ol, formate, (Z)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
• Density and Viscosity for a Binary Mixture of cis-3-Hexenyl Formate, Butyl Acetate, trans-2-Hexenyl Acetate, and cis-3-Hexenyl Acetate with Ethanol at Several Temperatures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.