Chemical Properties of 6-Octen-1-ol, 3,7-dimethyl-, formate (CAS 105-85-1)

InChI

InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

InChI Key

DZNVIZQPWLDQHI-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

CC(C)=CCCC(C)CCOC=O

Molecular Weight¹

184.28

CAS

105-85-1

Other Names

• 2,6-Dimethyl-2-octen-8-yl formate
• 3,7-Dimethyl-6-octen-1-yl formate
• Citronellyl formate
• Citronelyl formate
• Formic acid, 3,7-dimethyl-6-octen-1-yl ester
• Formic acid, citronellyl ester

• ω : Acentric Factor.
• 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).
• 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	0.5302		Relay (1.0) Calculated Property
ΔfG°	-93.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.09	kJ/mol	Joback Calculated Property
ΔvapH°	64.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
Inp	[1216.00; 1295.00]
Inp	1275.00		NIST
Inp	1256.20		NIST
Inp	1282.00		NIST
Inp	1261.00		NIST
Inp	1262.00		NIST
Inp	1252.00		NIST
Inp	1255.60		NIST
Inp	Outlier 1216.00		NIST
Inp	1282.00		NIST
Inp	1277.00		NIST
Inp	Outlier 1295.00		NIST
Inp	1262.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1262.00		NIST
Inp	1275.00		NIST
Inp	1275.00		NIST
Inp	1262.00		NIST
Inp	1280.00		NIST
Inp	1266.00		NIST
Inp	1261.00		NIST
Inp	1256.20		NIST
Inp	1258.90		NIST
Inp	1285.50		NIST
Inp	1271.00		NIST
Inp	1282.00		NIST
Inp	1273.00		NIST
Inp	1273.00		NIST
Inp	1278.00		NIST
Inp	1274.00		NIST
Inp	1252.00		NIST
Inp	1260.00		NIST
Inp	1249.00		NIST
Inp	1263.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1261.00		NIST
Inp	1255.60		NIST
Inp	1285.50		NIST
I	[1588.00; 1644.00]
I	1644.00		NIST
I	1600.00		NIST
I	1644.00		NIST
I	1638.00		NIST
I	1636.00		NIST
I	1617.00		NIST
I	1615.00		NIST
I	1629.00		NIST
I	1628.00		NIST
I	1616.00		NIST
I	1588.00		NIST
I	1612.90		NIST
I	1616.00		NIST
I	1605.00		NIST
I	1600.00		NIST
I	1599.00		NIST
I	1615.00		NIST
I	1625.00		NIST
I	1605.00		NIST
I	1600.00		NIST
I	1600.00		NIST
I	1636.00		NIST
I	1629.00		NIST
I	1616.00		NIST
Tboil	496.16	K	Relay (1.0) Calculated Property
Tc	660.76	K	Relay (1.0) Calculated Property
Tfus	215.49	K	Relay (1.0) Calculated Property
Vc	0.587	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.92; 477.54]	J/mol×K	[525.76; 706.19]
Cp,gas	397.92	J/mol×K	525.76	Joback Calculated Property
Cp,gas	412.75	J/mol×K	555.83	Joback Calculated Property
Cp,gas	426.94	J/mol×K	585.90	Joback Calculated Property
Cp,gas	440.49	J/mol×K	615.98	Joback Calculated Property
Cp,gas	453.43	J/mol×K	646.05	Joback Calculated Property
Cp,gas	465.77	J/mol×K	676.12	Joback Calculated Property
Cp,gas	477.54	J/mol×K	706.19	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[390.06; 527.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65377e+01
Coefficient B			-4.97929e+03
Coefficient C			-8.36470e+01
Temperature range, min.			390.06
Temperature range, max.			527.19
Pvap	1.33	kPa	390.06	Calculated Property
Pvap	2.88	kPa	405.30	Calculated Property
Pvap	5.80	kPa	420.53	Calculated Property
Pvap	10.99	kPa	435.77	Calculated Property
Pvap	19.76	kPa	451.01	Calculated Property
Pvap	33.89	kPa	466.24	Calculated Property
Pvap	55.79	kPa	481.48	Calculated Property
Pvap	88.53	kPa	496.72	Calculated Property
Pvap	135.93	kPa	511.95	Calculated Property
Pvap	202.66	kPa	527.19	Calculated Property

Similar Compounds

Find more compounds similar to 6-Octen-1-ol, 3,7-dimethyl-, formate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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.
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