Chemical Properties of 6-Octenal, 3,7-dimethyl-, (R)- (CAS 2385-77-5)

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1

InChI Key

NEHNMFOYXAPHSD-JTQLQIEISA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

CAS

2385-77-5

Other Names

• (3R)-(+)-Citronellal
• (R)-(+)-Citronellal
• (R)-3,7-Dimethyloct-6-enal
• 3,7-Dimethyl-6-octenal, (3R)-

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.22; 402.72]	J/mol×K	[480.66; 663.87]
Cp,gas	326.22	J/mol×K	480.66	Joback Calculated Property
Cp,gas	340.59	J/mol×K	511.20	Joback Calculated Property
Cp,gas	354.27	J/mol×K	541.73	Joback Calculated Property
Cp,gas	367.30	J/mol×K	572.27	Joback Calculated Property
Cp,gas	379.70	J/mol×K	602.80	Joback Calculated Property
Cp,gas	391.50	J/mol×K	633.34	Joback Calculated Property
Cp,gas	402.72	J/mol×K	663.87	Joback Calculated Property
ΔvapH	[53.20; 54.90]	kJ/mol	[310.50; 398.50]
ΔvapH	54.90	kJ/mol	310.50	NIST
ΔvapH	53.20	kJ/mol	398.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[361.48; 510.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50076e+01
Coefficient B			-4.22056e+03
Coefficient C			-7.47570e+01
Temperature range, min.			361.48
Temperature range, max.			510.04
Pvap	1.33	kPa	361.48	Calculated Property
Pvap	2.97	kPa	377.99	Calculated Property
Pvap	6.09	kPa	394.49	Calculated Property
Pvap	11.65	kPa	411.00	Calculated Property
Pvap	20.96	kPa	427.51	Calculated Property
Pvap	35.79	kPa	444.01	Calculated Property
Pvap	58.37	kPa	460.52	Calculated Property
Pvap	91.44	kPa	477.03	Calculated Property
Pvap	138.28	kPa	493.53	Calculated Property
Pvap	202.64	kPa	510.04	Calculated Property

Similar Compounds

Find more compounds similar to 6-Octenal, 3,7-dimethyl-, (R)-.

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
• The Yaws Handbook of Vapor Pressure

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